data_1ekz_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 1ekz _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 9' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 CA--C 1.539 0.765 0 N-CA-C 110.619 -0.57 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.619 HD12 ' HG2' ' A' ' 62' ' ' LYS . 22.0 mt -46.24 -49.95 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.479 -0.763 . . . . 0.0 110.064 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -56.04 -57.96 9.92 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.305 -0.872 . . . . 0.0 109.578 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -36.41 75.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.19 -0.944 . . . . 0.0 110.697 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 24' ' ' VAL . 25.1 t -60.97 -45.4 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 120.788 -1.195 . . . . 0.0 108.231 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.503 ' HA ' HG23 ' A' ' 24' ' ' VAL . 25.4 m-70 -66.98 -45.54 77.36 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 47.7 mt-10 -55.14 -50.71 68.59 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.623 -0.673 . . . . 0.0 109.485 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.6 mm -71.19 -40.07 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.009 -1.057 . . . . 0.0 109.474 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.62 -42.12 90.31 Favored Glycine 0 N--CA 1.497 2.753 0 N-CA-C 109.351 -1.499 . . . . 0.0 109.351 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.413 HG23 HD13 ' A' ' 18' ' ' ILE . 96.7 mt -78.43 -48.86 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.629 -0.924 . . . . 0.0 109.418 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 5.5 tmtt? -56.26 -32.15 64.25 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.281 -0.887 . . . . 0.0 110.697 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -98.31 -78.02 0.5 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.178 -0.951 . . . . 0.0 109.627 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER 161.97 62.04 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.637 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -136.99 126.61 25.31 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.853 -1.154 . . . . 0.0 110.851 -177.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.436 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -74.3 101.83 4.16 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.34 -0.85 . . . . 0.0 108.744 178.645 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.503 HG23 ' HA ' ' A' ' 14' ' ' HIS . 53.3 t -80.85 106.16 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.251 -0.906 . . . . 0.0 110.111 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.555 ' HB2' HG22 ' A' ' 45' ' ' ILE . 7.5 m-70 -130.7 126.57 36.83 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.097 -1.002 . . . . 0.0 109.955 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.481 ' CE2' HG12 ' A' ' 24' ' ' VAL . 73.1 m-85 -109.95 141.52 42.59 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.198 -0.939 . . . . 0.0 109.276 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -152.81 174.44 14.06 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.116 -0.99 . . . . 0.0 110.486 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.2 t -125.08 145.65 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.192 -0.943 . . . . 0.0 108.683 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.24 -24.63 14.78 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.144 -0.973 . . . . 0.0 110.8 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 . . . . . 0 N--CA 1.495 1.803 0 O-C-N 120.966 -1.083 . . . . 0.0 110.717 -179.351 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 120.612 0.244 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.5 mm -125.19 73.86 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.79 -1.194 . . . . 0.0 109.306 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -87.07 117.02 25.52 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.155 -0.966 . . . . 0.0 109.617 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.97 152.0 25.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.436 -0.79 . . . . 0.0 109.529 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.95 134.16 50.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.157 -0.964 . . . . 0.0 109.413 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.555 HG22 ' HB2' ' A' ' 25' ' ' HIS . 7.9 tt -114.08 142.8 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.087 -1.008 . . . . 0.0 109.113 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.637 HG23 ' HB3' ' A' ' 22' ' ' MET . 4.0 p -137.24 155.2 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -0.839 . . . . 0.0 109.234 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 48' ' ' SER . . . -63.68 63.86 0.04 OUTLIER Glycine 0 N--CA 1.507 3.37 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER 174.08 -39.24 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.626 -0.926 . . . . 0.0 109.714 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.22 -177.88 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.18 -0.95 . . . . 0.0 110.164 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 t -127.02 158.2 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.642 ' CG2' ' HG2' ' A' ' 68' ' ' LYS . 0.8 OUTLIER -140.63 111.54 7.03 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.878 -1.139 . . . . 0.0 111.006 -179.272 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 146.25 27.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.359 -0.838 . . . . 0.0 109.077 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.21 95.66 0.18 Allowed Glycine 0 N--CA 1.497 2.748 0 C-N-CA 119.653 -1.261 . . . . 0.0 110.549 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.92 63.06 0.63 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.548 -0.972 . . . . 0.0 110.078 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.678 0 N-CA-C 109.991 -1.243 . . . . 0.0 109.991 179.82 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.619 ' HG2' HD12 ' A' ' 10' ' ' ILE . 2.5 ttpt . . . . . 0 N--CA 1.498 1.973 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.537 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 34.3 tttp -72.58 -57.58 4.03 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -43.76 91.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.688 -0.632 . . . . 0.0 110.18 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.31 -56.5 15.93 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.556 -0.715 . . . . 0.0 109.864 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.31 91.42 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.315 -0.865 . . . . 0.0 109.899 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.537 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -55.98 -48.12 76.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.449 -0.782 . . . . 0.0 109.338 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.642 ' HG2' ' CG2' ' A' ' 51' ' ' THR . 9.8 tttt -58.76 -45.2 90.27 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.451 ' HE2' ' OG1' ' A' ' 51' ' ' THR . 42.1 tpp -57.1 -38.53 73.53 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.41 HD12 HG23 ' A' ' 13' ' ' VAL . 14.1 mt -69.81 -56.89 5.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.327 -0.858 . . . . 0.0 110.064 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.477 HG11 ' O ' ' A' ' 68' ' ' LYS . 8.9 p -56.9 -30.85 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.173 -0.954 . . . . 0.0 110.526 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.37 -50.17 8.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.766 -1.209 . . . . 0.0 108.987 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.62 -29.14 67.8 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.198 -0.939 . . . . 0.0 110.068 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -9.94 54.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.839 -1.163 . . . . 0.0 109.535 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.1 -31.51 12.44 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.365 -0.835 . . . . 0.0 109.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 118.343 -0.836 . . . . 0.0 109.819 -179.308 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.486 ' HB2' HD13 ' A' ' 70' ' ' LEU . 33.8 Cg_endo . . . . . 0 CA--C 1.544 1.017 0 CA-C-O 121.198 0.416 . . . . 0.0 112.177 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.561 ' O ' HG13 ' A' ' 13' ' ' VAL . 49.7 mm -69.8 -52.52 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.011 -1.055 . . . . 0.0 108.693 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -52.57 64.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.05 -1.031 . . . . 0.0 108.726 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -52.51 -43.63 65.21 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.628 -0.67 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -63.25 -40.32 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.636 -1.29 . . . . 0.0 108.735 179.301 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.576 ' HA ' HG12 ' A' ' 24' ' ' VAL . 16.7 m-70 -67.26 -36.31 81.34 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 33.2 mt-10 -66.29 -60.23 2.97 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.777 -0.577 . . . . 0.0 110.206 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -55.38 -33.34 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.146 -0.972 . . . . 0.0 110.977 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.14 -49.11 42.38 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.94 -37.07 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.61 -0.935 . . . . 0.0 110.626 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -60.84 -19.47 59.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.896 -1.128 . . . . 0.0 110.957 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -117.69 -76.98 0.57 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.096 -1.002 . . . . 0.0 109.799 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 30.7 t-20 171.81 62.13 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.579 -0.7 . . . . 0.0 109.67 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -140.06 117.59 11.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.745 -1.222 . . . . 0.0 110.492 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -66.78 100.7 0.73 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.395 -0.816 . . . . 0.0 109.451 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.668 HG21 ' SD ' ' A' ' 69' ' ' MET . 9.4 p -96.36 110.76 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.393 -0.817 . . . . 0.0 110.114 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.559 ' HB2' HG22 ' A' ' 45' ' ' ILE . 9.9 m-70 -132.21 124.82 29.74 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.729 -1.232 . . . . 0.0 109.912 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.431 ' CE2' HG22 ' A' ' 24' ' ' VAL . 91.1 m-85 -111.32 123.99 51.33 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.27 -0.894 . . . . 0.0 109.521 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HE3' ' O ' ' A' ' 28' ' ' VAL . 6.8 tttp -146.69 132.3 18.81 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.87 -1.144 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 77.4 t -76.06 149.72 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.085 -1.01 . . . . 0.0 109.428 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 mt -98.5 -63.93 1.08 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.339 -0.851 . . . . 0.0 109.569 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.808 0 O-C-N 121.576 -0.702 . . . . 0.0 110.251 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 120.974 0.416 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.35 101.45 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.343 -0.848 . . . . 0.0 109.712 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 52.4 m -95.9 117.49 30.71 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.131 -0.981 . . . . 0.0 109.22 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.416 ' HA ' ' HG3' ' A' ' 52' ' ' GLU . . . -79.78 143.06 34.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.429 -0.794 . . . . 0.0 109.817 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.645 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 7.4 m -131.67 119.37 21.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.367 -0.833 . . . . 0.0 109.755 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 25' ' ' HIS . 3.3 tt -110.15 133.95 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.984 -1.072 . . . . 0.0 110.159 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.584 HG21 ' HE2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -114.36 -168.8 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.71 93.67 0.12 Allowed Glycine 0 N--CA 1.501 3.018 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m 69.24 27.22 5.21 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.627 -0.925 . . . . 0.0 110.353 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.45 HG23 HD12 ' A' ' 49' ' ' ILE . 94.1 mt -141.86 150.84 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.091 -1.006 . . . . 0.0 109.524 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -130.06 151.44 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.824 -1.173 . . . . 0.0 108.587 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.526 ' CG2' ' HE3' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -165.3 116.98 1.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.235 -0.916 . . . . 0.0 109.931 -179.328 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HG3' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -85.3 160.85 19.74 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.094 -1.004 . . . . 0.0 110.129 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.53 108.31 0.74 Allowed Glycine 0 N--CA 1.499 2.841 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.67 78.83 3.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.629 -0.924 . . . . 0.0 109.927 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.868 0 O-C-N 120.638 -1.289 . . . . 0.0 111.283 -179.528 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.433 ' HE2' HG13 ' A' ' 10' ' ' ILE . 24.6 tttt . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 120.769 0.319 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -101.57 -68.18 0.83 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.165 -0.959 . . . . 0.0 109.053 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -44.92 -38.32 4.58 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.555 -0.715 . . . . 0.0 110.251 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.645 ' HB3' ' SG ' ' A' ' 44' ' ' CYS . . . -66.2 -45.3 81.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.115 -0.991 . . . . 0.0 109.024 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.92 75.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.359 -0.838 . . . . 0.0 109.37 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.63 -52.62 22.19 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.576 -0.703 . . . . 0.0 109.183 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.526 ' HE3' ' CG2' ' A' ' 51' ' ' THR . 0.8 OUTLIER -55.18 -53.84 50.94 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.707 -0.621 . . . . 0.0 109.721 179.139 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.668 ' SD ' HG21 ' A' ' 24' ' ' VAL . 3.2 ttm -58.0 -37.44 74.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.138 -0.976 . . . . 0.0 110.201 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' A' ' 9' ' ' PRO . 13.1 mt -67.1 -49.59 64.45 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.923 -1.111 . . . . 0.0 109.394 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.423 HG11 ' O ' ' A' ' 68' ' ' LYS . 9.8 p -65.17 -35.9 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.045 -1.035 . . . . 0.0 108.994 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.474 ' OE2' ' HD2' ' A' ' 68' ' ' LYS . 2.5 mt-10 -64.74 -47.23 79.01 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.06 -27.22 60.81 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.244 -0.91 . . . . 0.0 111.206 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.35 -10.53 59.75 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.872 -1.142 . . . . 0.0 111.318 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.562 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -117.11 -13.65 10.55 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -0.992 . . . . 0.0 110.877 -179.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.38 -1.295 . . . . 0.0 110.685 -178.623 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 36.8 Cg_endo . . . . . 0 N--CA 1.48 0.71 0 CA-C-O 121.537 0.557 . . . . 0.0 111.51 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mm -78.51 -49.39 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.256 -0.903 . . . . 0.0 109.887 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -49.96 28.48 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.127 -0.983 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.569 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -58.67 -44.24 90.13 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.13 -0.982 . . . . 0.0 109.443 179.422 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 16' ' ' ILE . 65.4 t -59.3 -44.16 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -61.67 -38.37 87.5 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -58.33 -61.74 2.36 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.816 -0.553 . . . . 0.0 109.729 178.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.2 pp -58.97 -36.89 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 120.794 -1.191 . . . . 0.0 110.192 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.69 -48.67 79.65 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.453 HD11 HG23 ' A' ' 18' ' ' ILE . 32.9 mm -73.73 -36.88 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.599 -0.942 . . . . 0.0 109.484 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 10.4 mmtp -61.57 -34.91 76.41 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.433 -0.792 . . . . 0.0 110.677 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.638 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -93.66 -72.86 0.59 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.228 -0.92 . . . . 0.0 109.298 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.638 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 37.0 t-20 164.69 64.93 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.17 141.19 46.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.856 -1.152 . . . . 0.0 110.413 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -41.59 97.53 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.677 -0.64 . . . . 0.0 110.439 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 t 64.82 72.86 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 CA-C-O 121.834 0.826 . . . . 0.0 109.433 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.554 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 5.0 m-70 -120.23 117.94 29.17 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.859 -1.151 . . . . 0.0 109.724 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.432 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 22.1 m-85 -92.49 149.04 21.62 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.388 -0.82 . . . . 0.0 109.704 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -158.61 118.94 3.25 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.945 -1.097 . . . . 0.0 110.537 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.631 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 78.4 t -76.62 130.73 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.138 -0.976 . . . . 0.0 109.014 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 7.3 mt -72.33 -48.37 42.58 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.349 -0.844 . . . . 0.0 108.885 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 2.1 ptm180 . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.216 0.531 . . . . 0.0 109.603 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.608 0.718 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.4 mm -89.59 101.8 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.537 -0.727 . . . . 0.0 109.567 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.631 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 78.7 m -110.49 117.25 33.06 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.342 -0.848 . . . . 0.0 109.35 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -99.71 169.1 9.49 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.127 -0.983 . . . . 0.0 110.586 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.1 t -151.63 150.4 30.24 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.454 -0.779 . . . . 0.0 109.635 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.554 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -127.44 139.46 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.132 -0.98 . . . . 0.0 109.761 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 m -138.21 106.09 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.328 -0.857 . . . . 0.0 110.1 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.15 -98.62 0.91 Allowed Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.5 p -125.63 12.03 7.96 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.566 -0.961 . . . . 0.0 110.739 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.83 138.95 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.691 -1.256 . . . . 0.0 109.699 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.06 151.61 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.506 -0.746 . . . . 0.0 109.347 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.441 ' OG1' ' HG2' ' A' ' 69' ' ' MET . 40.4 p -140.65 145.72 36.96 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.124 -0.985 . . . . 0.0 110.461 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -103.12 146.05 28.98 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.343 -0.848 . . . . 0.0 109.849 179.428 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.461 ' HA3' ' HB1' ' A' ' 65' ' ' ALA . . . -113.23 115.81 3.77 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.916 -1.273 . . . . 0.0 109.916 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -96.24 74.59 2.94 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 122.248 1.023 . . . . 0.0 110.416 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.77 0 O-C-N 120.37 -1.456 . . . . 0.0 110.366 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.0 mttt . . . . . 0 N--CA 1.499 2.021 0 CA-C-O 120.984 0.421 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -69.05 -66.68 0.55 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.055 -1.028 . . . . 0.0 109.018 178.835 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -49.49 -38.84 31.64 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.438 -0.789 . . . . 0.0 110.087 179.652 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.461 ' HB1' ' HA3' ' A' ' 53' ' ' GLY . . . -64.53 -49.67 70.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.453 -0.779 . . . . 0.0 109.571 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.48 81.1 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.216 -0.927 . . . . 0.0 110.724 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.581 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 2.9 mt-10 -52.15 -54.61 28.57 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.173 -0.955 . . . . 0.0 109.481 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -46.11 66.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.72 -0.613 . . . . 0.0 109.42 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.466 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -61.98 -54.82 36.31 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.407 -0.808 . . . . 0.0 109.418 179.39 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 74' ' ' GLN . 51.4 mt -57.6 -47.08 83.11 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.045 -1.034 . . . . 0.0 110.717 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.0 t -51.37 -42.24 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.344 -0.848 . . . . 0.0 110.455 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.466 ' OE2' ' NZ ' ' A' ' 75' ' ' LYS . 14.0 mm-40 -86.5 -49.63 7.44 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.023 -1.048 . . . . 0.0 109.708 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 69' ' ' MET . 9.6 mp -55.76 -29.14 59.11 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.21 -0.931 . . . . 0.0 110.793 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.503 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 14.7 mt-30 -86.72 -15.7 38.69 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.173 -0.955 . . . . 0.0 109.778 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.466 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 15.3 ttpt -98.09 -24.4 15.33 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.311 -0.868 . . . . 0.0 109.862 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.488 1.448 0 O-C-N 121.529 -0.732 . . . . 0.0 110.65 -179.128 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.651 ' HG3' ' HG3' ' A' ' 67' ' ' GLU . 34.4 Cg_endo . . . . . 0 CA--C 1.538 0.681 0 CA-C-O 121.663 0.61 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.3 mt -124.0 -60.21 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.387 -0.821 . . . . 0.0 109.218 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -67.2 0.27 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.545 -0.722 . . . . 0.0 109.947 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.96 -39.61 12.74 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.262 -0.899 . . . . 0.0 110.454 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 16' ' ' ILE . 69.2 t -64.08 -46.3 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.048 -1.032 . . . . 0.0 108.717 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -64.1 -37.8 88.74 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 4.6 mt-10 -63.76 -55.49 22.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.705 -0.622 . . . . 0.0 109.613 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.1 pt -65.76 -33.18 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.858 -1.151 . . . . 0.0 109.437 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.501 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -64.84 -54.22 29.57 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 178.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -62.32 -47.69 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.349 -1.089 . . . . 0.0 109.412 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.5 mmtp -58.66 -36.22 73.81 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.329 -0.857 . . . . 0.0 110.536 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -96.39 18.75 13.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.995 -1.066 . . . . 0.0 110.721 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 55.69 34.83 24.09 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.069 -1.019 . . . . 0.0 110.089 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.501 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 29.2 mtp -105.55 111.6 24.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 0.0 109.609 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -63.04 95.57 0.08 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.354 -0.841 . . . . 0.0 110.392 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.1 t -85.08 108.33 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.287 -0.883 . . . . 0.0 109.177 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.421 ' HB2' HG21 ' A' ' 45' ' ' ILE . 7.9 m-70 -130.06 124.71 33.49 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.999 -1.063 . . . . 0.0 110.33 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.457 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 39.4 m-85 -112.65 125.0 53.81 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.346 -0.846 . . . . 0.0 109.193 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.92 114.21 6.27 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.045 -1.034 . . . . 0.0 110.563 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.728 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 6.6 p -79.21 155.21 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.926 -1.109 . . . . 0.0 109.507 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 29' ' ' LEU . 3.1 mt -71.34 -33.01 69.23 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 122.18 0.991 . . . . 0.0 108.844 -179.721 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.508 2.446 0 CA-C-O 121.516 0.674 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 3.2 mt -65.45 91.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.352 -0.842 . . . . 0.0 111.004 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.728 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 1.1 m -77.54 120.03 21.94 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.987 -1.07 . . . . 0.0 108.344 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.45 120.79 34.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 109.223 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.584 ' SG ' ' HG3' ' A' ' 69' ' ' MET . 25.5 p -129.94 153.64 48.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.882 -1.136 . . . . 0.0 110.831 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.421 HG21 ' HB2' ' A' ' 25' ' ' HIS . 19.9 tt -134.79 150.87 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.475 -0.766 . . . . 0.0 109.401 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' THR . 72.5 t -137.59 93.54 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.186 -0.946 . . . . 0.0 109.061 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 -93.24 0.51 Allowed Glycine 0 N--CA 1.499 2.842 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.82 8.36 10.53 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.361 -1.082 . . . . 0.0 110.797 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.8 mt -112.92 137.25 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 120.894 -1.129 . . . . 0.0 109.758 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.81 147.05 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.11 -0.994 . . . . 0.0 109.625 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.8 m -153.5 127.43 8.93 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.307 -0.871 . . . . 0.0 109.396 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' THR . 9.3 pt-20 -126.34 170.1 12.26 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.005 -1.06 . . . . 0.0 109.857 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 54' ' ' GLU . . . 126.59 -79.18 0.37 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.723 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 0.9 OUTLIER 65.08 -85.05 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.706 -0.879 . . . . 0.0 110.141 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.012 0 C-N-CA 119.949 -1.12 . . . . 0.0 110.787 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 tttm . . . . . 0 N--CA 1.502 2.167 0 CA-C-O 122.38 1.086 . . . . 0.0 108.19 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.629 ' HG3' ' HD2' ' A' ' 9' ' ' PRO . 4.5 ttmt -175.79 -47.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.585 ' CB ' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -60.58 -57.42 12.79 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.035 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.76 92.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.452 -0.78 . . . . 0.0 109.092 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.31 -51.84 68.23 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.364 -0.835 . . . . 0.0 109.595 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.651 ' HG3' ' HG3' ' A' ' 9' ' ' PRO . 1.6 mt-10 -56.17 -42.04 76.41 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.434 -0.791 . . . . 0.0 109.107 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.443 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -65.19 -42.09 93.94 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.576 -0.702 . . . . 0.0 109.241 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.584 ' HG3' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -65.54 -50.81 63.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.174 -0.954 . . . . 0.0 109.693 179.643 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 74' ' ' GLN . 12.6 mt -51.39 -47.88 62.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.342 -0.848 . . . . 0.0 110.298 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 72' ' ' GLU . 8.1 p -69.48 -18.37 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.329 0 O-C-N 120.994 -1.066 . . . . 0.0 110.621 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.443 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 2.0 tp10 -91.2 -56.16 3.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.677 -1.264 . . . . 0.0 110.133 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.22 -26.67 68.23 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.083 -1.011 . . . . 0.0 111.075 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 29.7 mt-30 -77.73 8.98 3.8 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.717 -1.24 . . . . 0.0 109.839 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.49 -9.5 15.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.0 110.251 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.222 -179.524 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo . . . . . 0 N--CA 1.48 0.735 0 N-CA-C 111.148 -0.366 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 mt -55.93 -51.92 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.081 -1.012 . . . . 0.0 109.391 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -54.76 -50.15 69.13 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.192 -0.943 . . . . 0.0 109.706 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -53.78 -46.62 71.08 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.18 -0.95 . . . . 0.0 110.303 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.502 HG21 ' CD1' ' A' ' 70' ' ' LEU . 14.2 t -60.2 -44.47 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.013 -1.054 . . . . 0.0 109.194 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -64.77 -40.96 96.14 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.222 -0.924 . . . . 0.0 108.74 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 5.0 mm-40 -62.98 -51.88 65.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.706 -0.621 . . . . 0.0 110.433 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.501 HG12 ' HA ' ' A' ' 13' ' ' VAL . 4.0 pt -58.06 -32.46 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.702 -1.249 . . . . 0.0 110.077 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.478 ' N ' HG13 ' A' ' 16' ' ' ILE . . . -77.82 -44.03 13.22 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.7 mt -72.41 -42.12 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.398 -1.06 . . . . 0.0 110.207 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -56.7 -33.31 66.34 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.246 -0.909 . . . . 0.0 110.469 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 5.5 mtp180 -96.44 -73.64 0.59 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.373 -0.83 . . . . 0.0 109.216 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 20' ' ' ARG . 3.5 p30 167.11 52.31 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.431 -0.793 . . . . 0.0 109.753 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mtt -138.07 125.1 21.38 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.85 -1.156 . . . . 0.0 110.776 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.432 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.84 124.51 23.15 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.261 -0.899 . . . . 0.0 109.386 179.176 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.2 t -106.59 120.59 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.188 -0.945 . . . . 0.0 109.705 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.546 ' HB2' HG22 ' A' ' 45' ' ' ILE . 23.5 m-70 -133.64 125.56 28.97 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.104 -0.998 . . . . 0.0 110.197 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 8.5 m-85 -114.0 146.5 40.07 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.357 -0.839 . . . . 0.0 109.501 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -167.2 146.73 5.26 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.922 -1.111 . . . . 0.0 110.628 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 49.9 t -88.0 151.6 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.125 -0.984 . . . . 0.0 108.907 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mt -99.51 -33.79 10.51 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.007 -1.058 . . . . 0.0 110.222 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.494 1.768 0 O-C-N 120.973 -1.079 . . . . 0.0 111.208 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 2.1 mp -57.2 108.29 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 120.772 -1.205 . . . . 0.0 110.363 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 92.4 m -109.34 141.84 41.1 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.338 -0.852 . . . . 0.0 109.206 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.11 155.32 40.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.193 -0.942 . . . . 0.0 109.809 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.403 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 1.7 p -147.09 146.86 30.1 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.284 -0.885 . . . . 0.0 110.325 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.546 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.1 tt -127.66 142.61 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.362 -0.837 . . . . 0.0 109.221 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.451 ' O ' ' CG1' ' A' ' 46' ' ' VAL . 9.9 p -138.19 108.31 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.415 -0.803 . . . . 0.0 109.957 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.2 -92.37 0.05 OUTLIER Glycine 0 N--CA 1.503 3.111 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.1 t -126.76 20.92 7.06 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.336 -1.096 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.432 HG22 HD11 ' A' ' 49' ' ' ILE . 96.7 mt -126.05 129.37 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.999 -1.063 . . . . 0.0 109.708 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.546 HG23 HG13 ' A' ' 45' ' ' ILE . 1.7 t -113.17 150.98 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.059 -1.026 . . . . 0.0 108.757 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 m -150.59 162.8 39.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.967 -1.083 . . . . 0.0 110.529 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -120.71 169.62 10.22 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.695 0.759 . . . . 0.0 110.788 -179.183 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.13 97.13 0.13 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -72.13 77.37 0.96 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.449 -1.03 . . . . 0.0 108.898 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.442 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.209 0 CA-C-O 120.868 0.366 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -98.36 -64.62 1.02 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.083 -1.011 . . . . 0.0 109.472 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 -51.58 -39.2 57.45 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.457 -0.777 . . . . 0.0 111.278 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.01 68.49 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.812 -1.18 . . . . 0.0 108.859 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.53 87.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.439 -0.788 . . . . 0.0 109.544 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -55.88 -52.87 62.56 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.285 -0.884 . . . . 0.0 109.577 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 14.8 ttmt -55.48 -46.77 76.84 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.426 -0.796 . . . . 0.0 110.104 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.1 ttt -67.41 -47.05 71.41 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.086 -1.009 . . . . 0.0 110.541 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.502 ' CD1' HG21 ' A' ' 13' ' ' VAL . 39.7 mt -63.26 -38.6 91.8 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.062 -1.024 . . . . 0.0 109.839 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.73 -48.36 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.108 -0.995 . . . . 0.0 109.172 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' NZ ' ' A' ' 75' ' ' LYS . 47.8 mm-40 -70.89 -48.34 54.26 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.285 -0.884 . . . . 0.0 109.658 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.403 ' HA ' HD21 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -58.01 -37.16 73.8 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.062 -1.024 . . . . 0.0 110.435 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -68.65 -7.01 29.27 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.167 -0.958 . . . . 0.0 109.714 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.434 ' NZ ' ' OE1' ' A' ' 72' ' ' GLU . 12.7 ttmt -91.9 -9.52 42.92 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.411 -0.806 . . . . 0.0 109.783 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.287 -0.883 . . . . 0.0 110.932 -179.066 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HB2' ' HB2' ' A' ' 12' ' ' GLN . 35.6 Cg_endo . . . . . 0 CA--C 1.541 0.862 0 CA-C-O 121.404 0.502 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.511 ' O ' HG11 ' A' ' 13' ' ' VAL . 95.4 mt -53.68 -51.71 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.209 -0.932 . . . . 0.0 110.352 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -39.84 65.63 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.922 -1.111 . . . . 0.0 109.968 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.651 ' HA ' ' HG2' ' A' ' 15' ' ' GLU . 4.6 mt-30 -64.5 -50.16 68.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.514 -0.741 . . . . 0.0 109.778 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.511 HG11 ' O ' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -59.24 -39.44 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.54 -1.35 . . . . 0.0 108.557 178.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -63.41 -52.83 59.92 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.651 ' HG2' ' HA ' ' A' ' 12' ' ' GLN . 3.6 pt-20 -61.06 -40.83 95.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.359 -0.838 . . . . 0.0 110.162 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.646 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 34.0 mm -68.41 -47.98 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 120.915 -1.115 . . . . 0.0 109.709 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.438 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -61.59 -51.95 54.23 Favored Glycine 0 N--CA 1.499 2.892 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 18' ' ' ILE . 41.8 mm -59.72 -47.7 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.392 -1.063 . . . . 0.0 109.446 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.639 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -55.77 -37.94 69.22 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.191 -0.943 . . . . 0.0 109.754 179.235 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -84.49 20.8 1.61 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.247 -0.908 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.78 29.94 16.71 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.96 -1.087 . . . . 0.0 110.516 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.1 mtm -113.71 126.48 55.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.885 -1.134 . . . . 0.0 109.751 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.84 122.43 17.31 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.13 -0.981 . . . . 0.0 109.669 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' CG2' ' HA3' ' A' ' 17' ' ' GLY . 20.4 t -115.05 107.1 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.244 -0.91 . . . . 0.0 109.644 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.514 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 84.3 m-70 -122.23 132.47 54.45 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.16 -0.962 . . . . 0.0 109.704 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -128.25 91.26 3.22 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.29 -0.881 . . . . 0.0 110.007 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 1.4 ttpt -120.44 120.99 37.51 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.157 -0.964 . . . . 0.0 110.366 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.499 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.4 p -70.32 154.34 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 120.869 -1.144 . . . . 0.0 109.929 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 43' ' ' ALA . 13.4 mt -91.22 -64.4 1.13 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.971 -1.081 . . . . 0.0 109.31 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 121.228 0.537 . . . . 0.0 109.924 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 . . . . . 0 N--CA 1.499 2.005 0 CA-C-O 121.283 0.563 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.483 HD12 HG22 ' A' ' 41' ' ' ILE . 16.2 mm -85.85 124.0 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.008 -1.058 . . . . 0.0 109.256 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 34.4 m -100.62 146.24 27.39 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.21 -0.931 . . . . 0.0 109.396 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.789 ' HA ' ' HA ' ' A' ' 51' ' ' THR . . . -118.35 121.44 40.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.835 -1.166 . . . . 0.0 109.779 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 6.5 p -134.83 152.2 51.56 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.961 -1.087 . . . . 0.0 109.094 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.42 ' C ' ' HE3' ' A' ' 69' ' ' MET . 0.0 OUTLIER -133.06 136.24 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.127 -0.983 . . . . 0.0 109.756 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.421 HG11 ' HE2' ' A' ' 69' ' ' MET . 4.8 p -168.88 131.64 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.687 -0.633 . . . . 0.0 109.637 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.31 -101.34 0.08 OUTLIER Glycine 0 N--CA 1.5 2.932 0 N-CA-C 110.241 -1.143 . . . . 0.0 110.241 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 t -120.82 14.97 11.73 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.374 -1.074 . . . . 0.0 110.82 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.581 HD13 ' HG3' ' A' ' 72' ' ' GLU . 41.8 mm -108.52 144.85 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 120.928 -1.107 . . . . 0.0 110.236 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 51' ' ' THR . 45.4 t -134.37 163.39 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.789 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 39.8 p 28.17 -94.53 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 mm-40 44.32 20.61 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 177.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 42' ' ' THR . . . -86.88 84.54 1.56 Allowed Glycine 0 N--CA 1.499 2.887 0 O-C-N 120.504 -1.372 . . . . 0.0 110.885 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -87.88 74.12 9.07 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.165 -1.197 . . . . 0.0 110.206 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.001 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.408 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -50.98 -61.84 1.98 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.718 -0.614 . . . . 0.0 109.793 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.74 -47.48 30.24 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.625 -0.672 . . . . 0.0 110.49 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.88 83.61 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.184 -0.947 . . . . 0.0 109.144 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.2 85.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.338 -0.851 . . . . 0.0 110.255 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.41 -42.88 70.97 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.206 -0.934 . . . . 0.0 109.442 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 71' ' ' VAL . 12.3 ttmt -63.46 -40.28 96.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.439 -0.788 . . . . 0.0 109.325 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.423 ' HE2' ' HB ' ' A' ' 49' ' ' ILE . 5.9 mtt -68.21 -43.39 78.15 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.219 -0.926 . . . . 0.0 109.876 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.3 mt -59.92 -52.39 65.6 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.156 -0.965 . . . . 0.0 110.361 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 68' ' ' LYS . 12.1 p -56.68 -34.56 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.053 -1.029 . . . . 0.0 109.747 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.581 ' HG3' HD13 ' A' ' 49' ' ' ILE . 2.9 tm-20 -73.09 -57.82 3.75 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.233 -0.917 . . . . 0.0 109.329 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.6 mt -56.22 -28.44 58.36 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.282 -0.886 . . . . 0.0 110.308 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -87.43 9.96 19.06 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.088 -1.007 . . . . 0.0 109.681 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -115.49 -15.9 11.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.269 -0.895 . . . . 0.0 110.685 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.307 -179.649 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo . . . . . 0 N--CA 1.48 0.716 0 N-CA-C 110.677 -0.547 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 10' ' ' ILE . 88.9 mt -94.69 -43.43 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.172 -0.955 . . . . 0.0 109.871 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -58.57 5.1 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.099 -1.0 . . . . 0.0 110.578 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -40.87 83.58 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.054 -1.029 . . . . 0.0 110.36 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 16' ' ' ILE . 61.5 t -58.15 -42.29 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.813 -1.179 . . . . 0.0 108.61 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -66.88 -36.1 81.54 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -54.18 46.94 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.586 -0.696 . . . . 0.0 109.906 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.2 pp -67.96 -38.57 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.196 -0.94 . . . . 0.0 109.675 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.608 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -62.15 -52.37 50.29 Favored Glycine 0 N--CA 1.5 2.94 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.516 HG21 HD11 ' A' ' 18' ' ' ILE . 48.0 mm -79.93 61.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -167.71 -53.2 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.099 -1.001 . . . . 0.0 109.379 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.04 34.19 1.6 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.213 -0.929 . . . . 0.0 109.471 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 55.24 54.62 8.49 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.327 -0.858 . . . . 0.0 110.087 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.608 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 3.8 mtt -120.74 132.89 55.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.036 -1.04 . . . . 0.0 110.123 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -85.83 100.13 11.85 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.106 -0.996 . . . . 0.0 110.152 -179.619 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.426 ' CG2' ' HA3' ' A' ' 17' ' ' GLY . 61.5 t -71.42 96.29 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.915 -1.116 . . . . 0.0 109.126 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.61 ' HB2' HG21 ' A' ' 45' ' ' ILE . 3.8 m-70 -117.18 78.41 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.929 -1.107 . . . . 0.0 110.211 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 44' ' ' CYS . 5.1 m-85 -69.27 160.19 31.68 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.48 -0.762 . . . . 0.0 109.972 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -175.2 -179.81 1.4 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.114 -0.991 . . . . 0.0 110.151 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -132.49 152.19 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.115 -0.991 . . . . 0.0 108.887 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 8.0 mt -94.39 -52.33 4.39 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.155 -0.966 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.964 0 O-C-N 121.76 -0.587 . . . . 0.0 110.272 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.5 2.055 0 CA-C-O 121.471 0.653 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.472 HG22 HD13 ' A' ' 29' ' ' LEU . 10.2 mm -73.73 100.76 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.098 -1.001 . . . . 0.0 109.257 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 62' ' ' LYS . 25.5 m -93.33 144.72 25.05 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.209 -0.932 . . . . 0.0 110.466 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -134.99 157.56 46.6 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.433 -0.792 . . . . 0.0 109.944 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' C ' HG22 ' A' ' 50' ' ' VAL . 42.2 t -151.84 121.15 6.79 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.918 -1.114 . . . . 0.0 109.589 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.73 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 8.1 tt -101.2 135.87 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.05 -1.031 . . . . 0.0 109.699 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.602 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 98.7 t -136.68 114.47 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . 57.2 42.69 93.47 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 5.0 m 82.98 -33.04 0.08 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.841 -0.799 . . . . 0.0 111.297 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -81.35 117.18 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.68 -1.262 . . . . 0.0 110.01 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.73 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 4.8 p -104.26 159.75 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.764 -1.21 . . . . 0.0 110.379 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.587 HG22 ' SD ' ' A' ' 69' ' ' MET . 14.7 t -122.2 142.68 50.17 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -108.22 134.25 51.33 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.253 -0.905 . . . . 0.0 108.86 179.409 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -129.54 93.43 0.33 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.05 83.19 0.22 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.628 -0.925 . . . . 0.0 110.015 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.793 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.695 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.582 ' HA ' HG22 ' A' ' 42' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.23 -55.16 38.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.484 -0.76 . . . . 0.0 109.709 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -45.78 87.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.459 -0.776 . . . . 0.0 110.175 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . . . -57.01 -44.56 82.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.195 -0.94 . . . . 0.0 109.594 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.97 -42.2 66.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.508 -0.745 . . . . 0.0 110.187 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.93 -54.63 27.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.245 -0.91 . . . . 0.0 109.499 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' NZ ' ' OE2' ' A' ' 52' ' ' GLU . 2.2 tttt -58.47 -45.22 89.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.45 -0.781 . . . . 0.0 110.23 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.587 ' SD ' HG22 ' A' ' 51' ' ' THR . 1.3 ttt -60.82 -52.5 64.79 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.014 -1.054 . . . . 0.0 109.639 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.443 ' HA ' HD21 ' A' ' 73' ' ' LEU . 85.4 mt -59.81 -44.64 93.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.465 -0.772 . . . . 0.0 109.482 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 36.7 t -54.59 -39.26 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.269 -0.895 . . . . 0.0 109.832 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.18 -55.13 5.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.415 -0.803 . . . . 0.0 110.44 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 70' ' ' LEU . 2.9 pp -62.44 -24.92 67.69 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.851 -1.156 . . . . 0.0 111.473 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -76.17 6.85 4.82 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.674 -1.267 . . . . 0.0 110.485 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -106.05 -17.66 14.26 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.99 -1.069 . . . . 0.0 110.314 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.485 1.306 0 O-C-N 121.302 -0.874 . . . . 0.0 109.845 -179.059 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 CA--C 1.539 0.739 0 N-CA-C 110.818 -0.493 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.0 mm -64.29 -49.45 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.905 -1.122 . . . . 0.0 110.199 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -64.79 0.75 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.42 -0.8 . . . . 0.0 110.455 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -49.1 -41.27 35.2 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.165 -0.959 . . . . 0.0 110.754 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.533 ' HA ' HD21 ' A' ' 70' ' ' LEU . 41.6 t -59.33 -48.48 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.761 -1.212 . . . . 0.0 108.505 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -63.35 -40.11 96.38 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 2.6 mt-10 -57.94 -52.89 63.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.528 -0.733 . . . . 0.0 109.424 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.0 mt -62.12 -43.47 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.092 -1.005 . . . . 0.0 109.769 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.36 -44.2 98.36 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.6 mt -76.79 -34.26 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.613 -0.933 . . . . 0.0 109.954 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -54.81 -23.89 20.28 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.292 -0.88 . . . . 0.0 111.227 -179.608 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.38 -74.49 0.61 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.102 -0.999 . . . . 0.0 109.883 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 170.12 47.37 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.463 -0.773 . . . . 0.0 109.695 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.8 mtt -119.08 101.11 7.78 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.762 -1.211 . . . . 0.0 110.355 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.65 112.51 2.03 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.305 -0.872 . . . . 0.0 109.092 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 p -89.96 125.11 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.443 -0.786 . . . . 0.0 110.261 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.524 ' HB2' HG23 ' A' ' 45' ' ' ILE . 87.3 m-70 -125.34 109.13 12.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.17 -0.956 . . . . 0.0 109.747 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -94.78 110.4 22.27 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.347 -0.846 . . . . 0.0 109.826 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -149.09 118.31 6.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.059 -1.026 . . . . 0.0 110.44 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 46.4 t -55.57 145.38 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 120.94 -1.1 . . . . 0.0 109.053 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.63 -39.89 14.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.054 -1.029 . . . . 0.0 108.926 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.614 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 121.205 0.526 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 mp -97.38 106.78 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.822 -1.174 . . . . 0.0 109.33 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 95.5 m -94.95 140.78 29.46 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.176 -0.953 . . . . 0.0 110.489 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.427 ' H ' ' HA ' ' A' ' 28' ' ' VAL . . . -108.38 144.42 35.97 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 49.7 t -142.87 149.67 38.83 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.987 -1.071 . . . . 0.0 110.234 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.524 HG23 ' HB2' ' A' ' 25' ' ' HIS . 5.5 tt -129.42 148.76 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.371 -0.831 . . . . 0.0 109.094 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.432 HG23 ' HB ' ' A' ' 49' ' ' ILE . 3.7 m -138.13 101.03 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.206 -0.934 . . . . 0.0 109.745 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.47 -87.62 0.12 Allowed Glycine 0 N--CA 1.5 2.921 0 N-CA-C 110.021 -1.232 . . . . 0.0 110.021 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.1 p -131.13 18.5 4.96 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.269 -1.136 . . . . 0.0 110.719 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.432 ' HB ' HG23 ' A' ' 46' ' ' VAL . 32.1 mm -122.99 142.14 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.914 -1.116 . . . . 0.0 109.673 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.452 HG22 HG13 ' A' ' 45' ' ' ILE . 1.5 t -118.69 148.65 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.283 -0.886 . . . . 0.0 109.431 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.496 ' HB ' ' CG ' ' A' ' 69' ' ' MET . 1.2 m -162.82 147.23 11.58 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.494 -0.754 . . . . 0.0 109.07 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -122.88 177.9 5.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.99 . . . . 0.0 110.743 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.455 ' HA3' ' HB3' ' A' ' 65' ' ' ALA . . . -142.06 127.98 3.43 Favored Glycine 0 N--CA 1.501 2.975 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -91.53 36.95 0.95 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.588 -0.948 . . . . 0.0 110.583 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.041 0 O-C-N 120.896 -1.128 . . . . 0.0 110.346 179.776 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -64.81 -48.97 72.5 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.247 -0.908 . . . . 0.0 109.779 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 4.2 tpt85 -57.56 -44.15 85.04 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.573 -0.704 . . . . 0.0 110.128 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.455 ' HB3' ' HA3' ' A' ' 53' ' ' GLY . . . -68.76 -45.75 70.59 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.328 -0.858 . . . . 0.0 110.19 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.401 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -57.61 -64.65 0.83 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.297 -0.877 . . . . 0.0 110.961 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.19 -48.38 61.97 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.22 -0.925 . . . . 0.0 109.905 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -53.71 -37.53 63.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.274 -0.891 . . . . 0.0 110.51 179.346 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.496 ' CG ' ' HB ' ' A' ' 51' ' ' THR . 16.6 mtp -66.29 -53.35 37.65 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.137 -0.977 . . . . 0.0 109.255 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 13' ' ' VAL . 10.5 mp -57.56 -41.18 80.52 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.415 -0.803 . . . . 0.0 109.212 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.1 t -57.15 -34.79 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.332 -0.855 . . . . 0.0 109.842 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -85.27 -58.41 2.69 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.59 -0.694 . . . . 0.0 109.423 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 69' ' ' MET . 9.5 mp -54.46 -33.18 59.17 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.421 -0.799 . . . . 0.0 111.255 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.98 24.16 0.95 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.723 -1.236 . . . . 0.0 109.449 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 -8.0 2.78 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.385 -0.822 . . . . 0.0 110.755 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.225 -0.922 . . . . 0.0 110.196 -179.544 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo . . . . . 0 CA--C 1.543 0.942 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.4 mt -51.3 -48.12 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.32 0 O-C-N 121.483 -0.761 . . . . 0.0 110.412 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -60.55 3.21 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.577 -0.702 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -55.72 -37.71 68.78 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.211 -0.931 . . . . 0.0 110.072 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.407 HG21 ' HB2' ' A' ' 66' ' ' ALA . 61.5 t -62.26 -43.66 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.886 -1.134 . . . . 0.0 108.219 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -66.46 -39.92 89.1 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 24.8 mt-10 -59.88 -54.85 41.37 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.675 -0.64 . . . . 0.0 109.856 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.38 -37.95 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 120.957 -1.089 . . . . 0.0 109.988 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.544 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -65.16 -52.52 40.26 Favored Glycine 0 N--CA 1.499 2.873 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -62.11 -43.12 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.529 -0.983 . . . . 0.0 108.696 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.1 mttm -62.98 -16.33 59.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.455 -0.778 . . . . 0.0 110.499 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.81 21.77 12.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.009 -1.057 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.07 39.02 29.46 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.098 -1.001 . . . . 0.0 110.479 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.38 133.96 52.42 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.907 -1.121 . . . . 0.0 109.953 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.409 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -74.3 87.91 2.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.113 -0.992 . . . . 0.0 109.755 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.544 ' CG2' ' HA3' ' A' ' 17' ' ' GLY . 97.5 t -93.79 112.1 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.397 -0.814 . . . . 0.0 109.193 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.504 ' HB2' HG23 ' A' ' 45' ' ' ILE . 11.3 m-70 -131.02 126.09 35.0 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.214 -0.929 . . . . 0.0 109.378 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -100.54 148.32 24.93 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.32 -0.862 . . . . 0.0 110.213 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.1 110.7 3.55 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.411 -0.806 . . . . 0.0 109.381 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 6.7 t -86.6 139.76 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.899 -1.126 . . . . 0.0 109.303 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mt -92.52 -40.34 10.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.281 -0.887 . . . . 0.0 109.719 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 40' ' ' PHE . 2.3 mpt_? . . . . . 0 N--CA 1.498 1.939 0 O-C-N 121.467 -0.77 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.445 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 25.1 m-85 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 121.388 0.613 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.621 HG21 ' HG2' ' A' ' 54' ' ' GLU . 1.4 mt -90.03 106.2 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 120.676 -1.265 . . . . 0.0 109.543 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 88.5 m -109.72 122.76 48.2 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.153 -0.967 . . . . 0.0 110.273 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.66 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -107.63 143.95 35.37 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.203 -0.936 . . . . 0.0 108.964 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.452 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 4.1 m -142.33 152.04 42.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.854 -1.153 . . . . 0.0 110.455 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.504 HG23 ' HB2' ' A' ' 25' ' ' HIS . 17.5 tt -121.49 140.89 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.157 -0.964 . . . . 0.0 109.029 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.54 HG22 ' HB3' ' A' ' 73' ' ' LEU . 12.5 p -132.92 74.88 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 109.839 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.409 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 43.53 -87.76 0.01 OUTLIER Glycine 0 N--CA 1.506 3.321 0 O-C-N 121.81 -0.556 . . . . 0.0 112.007 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 46' ' ' VAL . 48.7 m -44.87 -43.27 8.69 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.836 -0.802 . . . . 0.0 112.153 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -154.47 176.8 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.46 -1.4 . . . . 0.0 111.924 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.478 HG22 HG13 ' A' ' 45' ' ' ILE . 1.5 t -120.12 148.25 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 m -150.29 143.31 24.84 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.175 -0.953 . . . . 0.0 110.229 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.66 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 10.5 pt-20 -111.15 169.0 9.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.113 -0.992 . . . . 0.0 109.629 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.95 106.38 0.3 Allowed Glycine 0 N--CA 1.497 2.73 0 C-N-CA 119.929 -1.129 . . . . 0.0 110.47 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.621 ' HG2' HG21 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -85.38 78.28 9.77 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.456 -1.026 . . . . 0.0 109.194 179.255 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.874 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -179.641 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.454 ' HE2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 120.948 0.404 . . . . 0.0 110.459 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -83.31 -60.4 2.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.116 -0.99 . . . . 0.0 109.73 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -50.7 -43.37 57.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.512 -0.743 . . . . 0.0 110.749 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.82 -47.73 83.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.133 -0.98 . . . . 0.0 109.129 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.407 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -68.28 -45.88 71.87 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -53.23 -48.1 68.46 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.164 -0.96 . . . . 0.0 109.812 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.54 -42.48 92.44 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.164 -0.96 . . . . 0.0 109.604 179.283 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.47 ' HE2' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -67.66 -39.12 84.57 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.123 -0.986 . . . . 0.0 109.568 179.291 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.6 mt -53.92 -53.41 53.02 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.504 -0.747 . . . . 0.0 110.224 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.79 -33.58 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.056 -1.027 . . . . 0.0 109.673 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -66.63 -60.44 2.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.0 110.185 179.723 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.54 ' HB3' HG22 ' A' ' 46' ' ' VAL . 1.4 pp -64.17 -26.84 68.7 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.673 -1.267 . . . . 0.0 111.175 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -83.5 -12.81 55.81 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.815 -1.178 . . . . 0.0 110.794 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.586 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -101.74 -26.09 13.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.917 -1.114 . . . . 0.0 110.06 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.406 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 5.2 mt . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 122.669 0.388 . . . . 0.0 111.236 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 CA--C 1.547 1.132 0 CA-C-O 120.97 0.321 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.404 ' O ' HG11 ' A' ' 13' ' ' VAL . 48.5 mm -119.51 -47.76 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 120.727 -1.233 . . . . 0.0 110.731 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.3 -52.25 16.85 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.129 -0.982 . . . . 0.0 110.215 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.78 -44.1 97.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.319 -0.863 . . . . 0.0 110.073 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.444 HG11 ' N ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER -56.88 -39.94 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.047 -1.033 . . . . 0.0 108.678 179.112 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.444 ' N ' HG11 ' A' ' 13' ' ' VAL . 17.6 m-70 -69.46 -41.55 76.08 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.69 -47.1 64.03 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.447 0.641 . . . . 0.0 109.289 178.556 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.32 -49.15 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.234 -0.916 . . . . 0.0 109.663 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.73 56.63 Favored Glycine 0 N--CA 1.499 2.885 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.49 HG23 HD12 ' A' ' 18' ' ' ILE . 47.5 mm -57.74 -47.84 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.409 -1.054 . . . . 0.0 109.458 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -50.91 -39.11 53.61 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.375 -0.828 . . . . 0.0 110.121 179.462 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -99.02 24.58 7.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.276 -0.89 . . . . 0.0 110.253 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 m120 52.19 33.36 12.26 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.158 -0.964 . . . . 0.0 110.451 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.0 mtm -103.07 120.04 39.96 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.069 -1.019 . . . . 0.0 109.583 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.42 125.12 23.15 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.153 -0.967 . . . . 0.0 109.829 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 14' ' ' HIS . 39.4 t -106.22 118.63 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.36 -0.838 . . . . 0.0 109.256 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.484 ' HB2' HG21 ' A' ' 45' ' ' ILE . 34.7 m-70 -129.89 126.52 38.15 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.092 -1.005 . . . . 0.0 110.38 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.49 ' CD2' ' HB2' ' A' ' 44' ' ' CYS . 23.1 m-85 -101.66 145.54 28.95 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.391 -0.818 . . . . 0.0 109.536 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -155.52 124.53 6.15 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.149 -0.969 . . . . 0.0 110.261 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 80.0 t -75.08 148.26 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.059 -1.026 . . . . 0.0 109.029 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.66 -42.12 8.18 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.151 -0.968 . . . . 0.0 109.68 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.942 0 CA-C-O 121.584 0.707 . . . . 0.0 110.598 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 N--CA 1.499 2.024 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 mt -81.7 115.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.849 -1.157 . . . . 0.0 110.296 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 62.6 m -112.72 130.0 56.22 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.179 -0.95 . . . . 0.0 109.821 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.654 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -109.1 166.26 10.98 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.147 -0.971 . . . . 0.0 110.15 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.49 ' HB2' ' CD2' ' A' ' 26' ' ' PHE . 29.1 t -159.64 152.47 21.65 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.332 -0.855 . . . . 0.0 110.34 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.484 HG21 ' HB2' ' A' ' 25' ' ' HIS . 12.6 tt -129.08 142.22 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.212 -0.93 . . . . 0.0 109.42 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 m -134.22 105.34 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.166 -0.959 . . . . 0.0 109.956 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.57 -90.97 0.16 Allowed Glycine 0 N--CA 1.501 2.984 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.4 p -130.48 23.58 5.12 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.314 -1.109 . . . . 0.0 110.455 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mp -130.04 136.69 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.967 -1.083 . . . . 0.0 109.846 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.401 HG23 HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -117.75 143.7 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.187 -0.945 . . . . 0.0 109.499 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.444 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 51.1 m -157.61 143.8 17.64 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.44 -0.787 . . . . 0.0 109.244 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.654 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -121.82 -174.38 2.86 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.018 -1.051 . . . . 0.0 110.466 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.31 117.18 0.83 Allowed Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.28 72.97 5.9 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.252 -1.146 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.92 0 O-C-N 120.854 -1.154 . . . . 0.0 111.024 -179.449 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt . . . . . 0 N--CA 1.499 1.983 0 CA-C-O 120.924 0.392 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HE3' ' OE1' ' A' ' 67' ' ' GLU . 11.4 ttpp -73.8 -63.74 1.15 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -52.1 -40.05 60.69 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.396 -0.815 . . . . 0.0 110.543 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.15 -51.86 67.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.203 -0.936 . . . . 0.0 109.24 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.99 76.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.257 -0.902 . . . . 0.0 109.751 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' OE1' ' HE3' ' A' ' 63' ' ' LYS . 46.0 mt-10 -54.65 -52.14 63.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.235 -0.916 . . . . 0.0 109.375 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' NZ ' ' HG3' ' A' ' 72' ' ' GLU . 7.6 tptt -56.69 -43.93 80.96 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.372 -0.83 . . . . 0.0 109.265 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.444 ' SD ' ' HB ' ' A' ' 51' ' ' THR . 1.6 ttt -62.88 -54.99 30.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.514 -0.741 . . . . 0.0 110.215 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.418 ' CG ' HG21 ' A' ' 13' ' ' VAL . 50.3 mt -63.68 -50.08 70.64 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.074 -1.016 . . . . 0.0 110.712 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.8 t -45.69 -46.8 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 121.377 -0.827 . . . . 0.0 109.848 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.402 ' HG3' ' NZ ' ' A' ' 68' ' ' LYS . 1.2 mt-10 -82.27 -45.83 14.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.044 -1.035 . . . . 0.0 110.331 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.2 mt -56.36 -28.62 59.64 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.059 -1.025 . . . . 0.0 110.242 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -87.4 -11.21 49.91 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.029 -1.045 . . . . 0.0 109.48 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.59 -24.18 13.02 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.402 -0.811 . . . . 0.0 109.953 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 CA--C 1.554 1.116 0 O-C-N 121.677 -0.639 . . . . 0.0 110.674 179.507 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo . . . . . 0 CA--C 1.544 1.002 0 N-CA-C 112.601 0.193 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' SER . 41.2 mm -117.51 -78.28 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.492 -1.38 . . . . 0.0 111.819 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -37.43 -65.05 0.34 Allowed 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.332 -0.855 . . . . 0.0 111.218 -178.663 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -49.18 -39.64 30.17 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.358 -0.839 . . . . 0.0 110.626 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.613 HG23 ' HG ' ' A' ' 70' ' ' LEU . 36.2 t -63.87 -46.45 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 120.9 -1.125 . . . . 0.0 108.448 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.47 ' O ' HG22 ' A' ' 18' ' ' ILE . 15.6 m-70 -61.18 -50.3 73.73 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 6.3 mt-10 -52.21 -48.82 64.88 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.415 HG23 HD11 ' A' ' 16' ' ' ILE . 15.0 mm -62.81 -38.49 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.207 -0.933 . . . . 0.0 109.17 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.34 -51.77 55.64 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER -74.59 -39.68 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 121.229 -1.159 . . . . 0.0 109.248 179.663 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -59.47 -28.45 67.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.017 -1.052 . . . . 0.0 110.196 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.562 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -105.15 -60.63 1.59 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.481 -0.762 . . . . 0.0 109.828 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.562 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER 154.97 -1.44 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.883 0 O-C-N 122.099 -0.376 . . . . 0.0 111.222 179.573 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.418 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 2.6 mtt -72.56 147.55 45.8 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.35 -1.469 . . . . 0.0 110.651 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.595 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 42.2 p -65.86 -57.94 6.76 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.48 -0.763 . . . . 0.0 110.931 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.559 ' HA ' HG22 ' A' ' 46' ' ' VAL . 51.8 t 66.23 87.89 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-O 121.873 0.844 . . . . 0.0 109.812 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.595 ' NE2' ' HB ' ' A' ' 23' ' ' THR . 6.6 m-70 -126.98 124.14 38.76 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.842 -1.161 . . . . 0.0 109.687 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -112.96 132.44 55.35 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.318 -0.864 . . . . 0.0 110.025 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 6.9 tttm -148.76 124.31 10.38 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.087 -1.008 . . . . 0.0 110.183 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.714 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 2.4 p -75.62 153.75 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.801 -1.187 . . . . 0.0 110.432 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.591 ' HB2' HG22 ' A' ' 41' ' ' ILE . 1.7 mt -113.97 -35.3 5.14 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.166 -0.959 . . . . 0.0 109.827 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' HB2' HG23 ' A' ' 41' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.891 0 O-C-N 121.45 -0.781 . . . . 0.0 109.477 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 . . . . . 0 N--CA 1.495 1.784 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.591 HG22 ' HB2' ' A' ' 29' ' ' LEU . 21.5 tt -106.72 121.88 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.45 -1.406 . . . . 0.0 110.281 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 27.5 m -121.92 128.53 51.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.428 -0.795 . . . . 0.0 109.517 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -101.06 150.0 23.36 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.243 -0.911 . . . . 0.0 109.767 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.2 p -147.09 144.23 28.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.082 -1.011 . . . . 0.0 110.244 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.508 HG23 ' HB2' ' A' ' 25' ' ' HIS . 17.1 tt -128.69 144.57 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.328 -0.857 . . . . 0.0 110.105 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 24' ' ' VAL . 61.3 t -134.89 104.86 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.115 -0.991 . . . . 0.0 109.521 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.48 -86.55 0.42 Allowed Glycine 0 N--CA 1.499 2.878 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -138.87 20.33 2.66 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.378 -1.072 . . . . 0.0 110.381 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.431 HD13 HG21 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -123.25 141.34 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.986 -1.071 . . . . 0.0 108.864 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.466 HG21 HG13 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -123.25 146.93 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.261 -0.9 . . . . 0.0 109.797 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.535 ' HB ' ' HG3' ' A' ' 69' ' ' MET . 1.2 m -148.01 124.61 11.08 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.503 -0.748 . . . . 0.0 109.413 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -88.43 159.05 18.17 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.362 -0.836 . . . . 0.0 110.918 -179.429 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.406 ' HA3' ' HB1' ' A' ' 65' ' ' ALA . . . -132.58 96.27 0.31 Allowed Glycine 0 N--CA 1.498 2.805 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -85.84 30.77 0.64 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.44 -1.035 . . . . 0.0 111.259 -179.269 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.393 0 O-C-N 120.863 -1.148 . . . . 0.0 110.364 179.166 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.941 0 CA-C-O 121.705 0.764 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.77 -63.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -38.36 19.32 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.442 -0.786 . . . . 0.0 110.168 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB1' ' HA3' ' A' ' 53' ' ' GLY . . . -65.66 -39.59 91.52 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.118 -0.989 . . . . 0.0 109.452 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.87 -57.0 4.1 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.378 -0.826 . . . . 0.0 110.239 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.16 -52.06 38.44 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.305 -0.872 . . . . 0.0 109.382 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.433 ' CD ' HG22 ' A' ' 51' ' ' THR . 1.9 tttm -53.53 -47.81 69.61 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.535 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -54.86 -49.23 71.64 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.449 -0.782 . . . . 0.0 109.556 178.774 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.613 ' HG ' HG23 ' A' ' 13' ' ' VAL . 2.2 mt -63.46 -35.07 79.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.715 -1.24 . . . . 0.0 108.977 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.4 t -58.37 -55.02 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.388 -0.82 . . . . 0.0 109.149 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -67.83 -42.69 81.06 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.162 -0.961 . . . . 0.0 109.941 179.09 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.4 mt -60.53 -30.67 69.89 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.015 -1.053 . . . . 0.0 110.743 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -81.42 6.61 14.01 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.896 -1.127 . . . . 0.0 110.063 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.21 4.32 6.38 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.081 -1.012 . . . . 0.0 110.99 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.159 -179.782 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.515 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 36.1 Cg_endo . . . . . 0 CA--C 1.542 0.906 0 N-CA-C 110.007 -0.805 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.515 ' HB ' ' O ' ' A' ' 9' ' ' PRO . 87.4 mt 69.57 -58.78 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 121.353 -0.842 . . . . 0.0 109.895 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -54.52 -68.35 0.19 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.276 -0.89 . . . . 0.0 109.501 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -54.18 -25.93 25.29 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.257 -0.902 . . . . 0.0 109.701 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.51 HG21 ' CD2' ' A' ' 70' ' ' LEU . 40.9 t -69.41 -39.61 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.895 -1.128 . . . . 0.0 108.086 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.417 ' NE2' HG13 ' A' ' 24' ' ' VAL . 6.7 m-70 -65.56 -44.83 85.57 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 15.5 mt-10 -61.99 -59.31 5.29 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.189 0.518 . . . . 0.0 110.106 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.419 HG22 HD11 ' A' ' 16' ' ' ILE . 9.7 tt -63.45 -37.64 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.261 -0.899 . . . . 0.0 109.634 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.33 -57.37 20.04 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.414 HG22 HD13 ' A' ' 18' ' ' ILE . 32.3 mm -59.14 -46.75 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.285 -1.126 . . . . 0.0 108.925 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 3.8 tttm -54.35 -32.06 55.92 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.481 -0.762 . . . . 0.0 110.646 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -105.46 23.19 14.18 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.071 -1.018 . . . . 0.0 110.295 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 54.96 36.58 27.17 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.017 -1.052 . . . . 0.0 109.729 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.657 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 9.1 mtt -113.46 109.95 19.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.972 . . . . 0.0 110.067 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 m -70.3 104.95 2.82 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.964 -1.085 . . . . 0.0 109.226 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.417 HG13 ' NE2' ' A' ' 14' ' ' HIS . 7.4 p -68.21 98.86 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 CA-C-O 121.725 0.774 . . . . 0.0 110.28 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.615 ' HB2' HG23 ' A' ' 45' ' ' ILE . 29.8 m-70 -103.25 97.47 7.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.986 -1.072 . . . . 0.0 110.055 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -90.03 119.61 30.52 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.305 -0.872 . . . . 0.0 109.379 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 22.7 tttm -149.8 139.47 21.69 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.864 -1.147 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 93.6 t -80.31 148.0 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.203 -0.936 . . . . 0.0 109.005 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.408 HD13 ' CG2' ' A' ' 41' ' ' ILE . 9.2 mt -81.03 -40.55 24.05 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.131 -0.98 . . . . 0.0 108.767 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.953 0 O-C-N 121.785 -0.572 . . . . 0.0 109.548 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.503 2.197 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.408 ' CG2' HD13 ' A' ' 29' ' ' LEU . 3.2 mp -142.28 107.94 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.761 -1.212 . . . . 0.0 110.707 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 1.7 m -104.45 121.7 43.98 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -107.66 135.28 49.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.383 -0.823 . . . . 0.0 109.869 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.483 ' HB3' ' HG3' ' A' ' 69' ' ' MET . 42.5 t -120.99 121.03 37.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.234 -0.916 . . . . 0.0 109.531 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.652 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 11.5 tt -108.37 145.01 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.138 -0.976 . . . . 0.0 109.911 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.657 ' HB ' ' HB3' ' A' ' 22' ' ' MET . 2.9 m -134.17 111.01 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.56 -0.713 . . . . 0.0 109.483 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.49 -82.35 0.28 Allowed Glycine 0 N--CA 1.5 2.948 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -142.82 16.98 1.97 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.229 -1.159 . . . . 0.0 111.014 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -135.04 138.78 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.931 -1.106 . . . . 0.0 109.042 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.652 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 2.6 p -123.78 156.76 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.84 -1.163 . . . . 0.0 111.056 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' CG2' ' A' ' 50' ' ' VAL . 8.4 m -125.21 98.66 5.74 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 8.0 mt-10 -83.93 141.24 31.4 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.267 -0.896 . . . . 0.0 109.441 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 54' ' ' GLU . . . 176.82 -124.87 0.98 Allowed Glycine 0 N--CA 1.497 2.707 0 C-N-CA 119.502 -1.332 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.574 ' HA ' ' HG3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER 82.73 -148.91 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.032 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.892 0 C-N-CA 119.52 -1.324 . . . . 0.0 111.167 -178.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? . . . . . 0 N--CA 1.503 2.21 0 CA-C-O 122.251 1.024 . . . . 0.0 108.697 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 14.0 tttm -167.4 -60.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.574 ' HG3' ' HA ' ' A' ' 54' ' ' GLU . 15.7 tpt180 -44.98 -49.99 10.89 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.224 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.62 -48.63 59.35 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.949 -1.094 . . . . 0.0 110.47 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.63 85.88 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.167 -0.958 . . . . 0.0 110.481 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 49.2 mt-10 -58.54 -50.85 72.27 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.573 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.31 -37.52 77.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.444 -0.785 . . . . 0.0 109.465 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.483 ' HG3' ' HB3' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -64.23 -44.16 92.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.993 -1.067 . . . . 0.0 109.399 179.407 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.51 ' CD2' HG21 ' A' ' 13' ' ' VAL . 32.5 mt -54.77 -53.34 56.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.303 -0.873 . . . . 0.0 110.248 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -61.1 -28.96 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 120.952 -1.092 . . . . 0.0 110.026 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.614 ' HA ' ' NZ ' ' A' ' 75' ' ' LYS . 5.3 mm-40 -78.35 -49.33 13.78 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.679 -1.263 . . . . 0.0 110.176 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 70' ' ' LEU . 1.5 pp -70.87 -22.11 62.33 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.978 -1.076 . . . . 0.0 110.901 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -9.99 59.06 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.941 -1.099 . . . . 0.0 110.824 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.614 ' NZ ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -90.24 -24.88 20.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.978 -1.076 . . . . 0.0 110.135 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 O-C-N 121.479 -0.763 . . . . 0.0 110.302 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.434 ' O ' HG23 ' A' ' 13' ' ' VAL . 36.5 Cg_endo . . . . . 0 N--CA 1.484 0.955 0 CA-C-O 120.638 0.183 . . . . 0.0 112.182 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -130.16 -55.72 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.895 -1.128 . . . . 0.0 110.143 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -69.04 0.15 Allowed 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.599 -0.688 . . . . 0.0 110.489 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.15 -37.55 54.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.317 -0.864 . . . . 0.0 110.594 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 9' ' ' PRO . 58.1 t -58.8 -40.65 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.611 -1.306 . . . . 0.0 108.08 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -70.02 -49.15 54.26 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -55.78 -43.19 76.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.602 -0.686 . . . . 0.0 110.672 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -81.24 -39.63 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.837 -1.164 . . . . 0.0 109.101 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.505 ' HA3' HG22 ' A' ' 24' ' ' VAL . . . -57.4 -55.5 30.1 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.89 -50.01 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.373 -1.075 . . . . 0.0 109.419 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -37.17 83.67 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.286 -0.884 . . . . 0.0 110.628 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -87.34 20.03 2.99 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.88 -1.138 . . . . 0.0 110.921 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.2 34.86 24.54 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.069 -1.019 . . . . 0.0 110.441 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.455 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 14.1 mtp -100.48 138.25 37.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.811 -1.181 . . . . 0.0 109.79 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -57.32 -51.24 70.19 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.442 -0.786 . . . . 0.0 110.46 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.505 HG22 ' HA3' ' A' ' 17' ' ' GLY . 40.2 t 62.95 72.83 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-O 121.729 0.776 . . . . 0.0 109.326 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.634 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 4.6 m-70 -119.77 120.74 37.43 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.776 -1.202 . . . . 0.0 109.831 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -107.1 125.16 50.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.484 -0.76 . . . . 0.0 109.294 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -142.81 129.63 20.5 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.136 -0.977 . . . . 0.0 109.874 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 41' ' ' ILE . 34.8 t -87.08 143.45 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.985 -1.072 . . . . 0.0 108.819 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.475 HD13 HG12 ' A' ' 41' ' ' ILE . 3.2 mt -91.39 -37.27 13.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.242 -0.911 . . . . 0.0 109.646 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.518 -0.738 . . . . 0.0 109.822 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 . . . . . 0 N--CA 1.498 1.944 0 CA-C-O 121.267 0.556 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.476 ' O ' HG12 ' A' ' 28' ' ' VAL . 1.6 tp -114.11 98.77 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.009 -1.057 . . . . 0.0 109.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.666 HG21 ' HA ' ' A' ' 62' ' ' LYS . 12.6 m -87.83 120.24 28.95 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.263 -0.898 . . . . 0.0 110.515 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.02 140.94 36.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 108.555 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.1 p -136.64 135.72 38.53 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.794 -1.192 . . . . 0.0 110.337 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.634 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 17.3 tt -123.01 133.83 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.182 -0.949 . . . . 0.0 109.554 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 38.7 t -129.44 102.55 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.167 -0.958 . . . . 0.0 109.722 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.33 -110.83 3.47 Favored Glycine 0 N--CA 1.498 2.828 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -109.67 20.36 18.2 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.393 -1.063 . . . . 0.0 110.685 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 49' ' ' ILE . 91.9 mt -127.29 134.78 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.882 -1.136 . . . . 0.0 110.048 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.471 HG21 HG13 ' A' ' 45' ' ' ILE . 1.1 t -122.94 145.29 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.165 -0.959 . . . . 0.0 109.248 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.9 m -141.67 135.39 29.84 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.473 -0.767 . . . . 0.0 110.121 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -100.16 142.95 30.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.352 -0.842 . . . . 0.0 109.584 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.17 90.16 0.37 Allowed Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.88 74.4 0.29 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.509 -0.995 . . . . 0.0 110.408 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.862 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 179.389 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.666 ' HA ' HG21 ' A' ' 42' ' ' THR . 21.2 mttm . . . . . 0 N--CA 1.5 2.051 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 36.4 tttm -87.35 -56.62 3.28 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.136 -0.977 . . . . 0.0 109.171 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -47.61 -45.53 27.68 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.714 -0.616 . . . . 0.0 111.579 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.526 ' HB3' ' HB ' ' A' ' 42' ' ' THR . . . -64.41 -39.21 93.41 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.161 -0.962 . . . . 0.0 110.697 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 9' ' ' PRO . . . -71.45 -49.16 44.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.27 -0.894 . . . . 0.0 109.914 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 34.0 mt-10 -49.78 -54.18 20.65 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.645 -0.659 . . . . 0.0 110.001 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 2.9 tttp -56.8 -45.94 81.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.526 -0.734 . . . . 0.0 109.31 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.1 tpp -49.37 -50.74 38.77 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.036 -1.04 . . . . 0.0 109.789 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.3 mt -66.14 -40.63 90.76 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.14 -0.975 . . . . 0.0 109.847 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.95 -45.74 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.377 -0.827 . . . . 0.0 110.345 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 1.6 mm-40 -72.57 -47.52 47.41 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.232 -0.917 . . . . 0.0 109.296 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.6 mt -58.25 -35.5 71.83 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.952 -1.093 . . . . 0.0 110.314 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -81.23 -15.52 55.39 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.919 -1.113 . . . . 0.0 109.887 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.512 ' HB3' ' HE3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -98.59 -35.53 10.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.063 -1.023 . . . . 0.0 109.93 179.492 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 117.684 -1.15 . . . . 0.0 109.992 -179.492 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.477 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 34.8 Cg_endo . . . . . 0 CA--C 1.538 0.693 0 N-CA-C 110.714 -0.533 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.494 HG13 ' CB ' ' A' ' 66' ' ' ALA . 3.8 mt 69.67 -60.58 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.737 -0.602 . . . . 0.0 110.209 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -74.95 0.09 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.541 -0.725 . . . . 0.0 110.091 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.5 -35.93 31.55 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.997 -1.064 . . . . 0.0 109.62 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.458 HG22 HD21 ' A' ' 70' ' ' LEU . 98.0 t -62.21 -46.2 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.264 -0.897 . . . . 0.0 108.844 178.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -65.72 -39.7 91.45 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.03 -52.35 65.33 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.885 -0.509 . . . . 0.0 110.643 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 1.4 pp -76.3 -32.25 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.691 -1.255 . . . . 0.0 109.955 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.572 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -64.33 -52.17 46.14 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 107.617 -2.193 . . . . 0.0 107.617 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.599 ' O ' HG21 ' A' ' 18' ' ' ILE . 18.0 mt -93.87 51.78 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -86.41 101.72 13.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.011 -1.68 . . . . 0.0 111.76 -177.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 43.1 mtt85 40.25 39.12 0.62 Allowed 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.668 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 20' ' ' ARG . 1.2 t-20 166.32 -67.94 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.514 0 O-C-N 120.891 -1.131 . . . . 0.0 111.393 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.562 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 3.6 mtm -58.02 165.37 1.89 Allowed 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.785 0.803 . . . . 0.0 111.105 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -123.66 151.57 42.93 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.257 -0.902 . . . . 0.0 109.512 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.572 ' CG2' ' HA3' ' A' ' 17' ' ' GLY . 69.4 t -131.4 124.76 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.329 -0.857 . . . . 0.0 109.578 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.55 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 75.8 m-70 -122.92 125.41 45.27 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.267 -0.896 . . . . 0.0 109.617 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -123.39 108.07 12.31 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.377 -0.827 . . . . 0.0 109.8 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -132.15 135.37 46.33 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.098 -1.001 . . . . 0.0 110.184 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.596 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 3.5 t -76.21 142.07 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.379 -0.825 . . . . 0.0 109.084 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' A' ' 43' ' ' ALA . 7.7 mt -86.18 -35.32 20.17 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.049 -1.032 . . . . 0.0 108.539 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.616 -0.678 . . . . 0.0 109.888 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 . . . . . 0 N--CA 1.504 2.256 0 CA-C-O 120.681 0.276 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.45 130.5 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.593 -1.317 . . . . 0.0 110.494 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -123.1 133.27 54.3 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.62 -0.675 . . . . 0.0 109.436 179.369 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.48 ' HB3' HD21 ' A' ' 29' ' ' LEU . . . -105.5 120.11 40.81 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 20.5 p -120.92 149.37 42.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.059 -1.026 . . . . 0.0 110.882 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.498 HG21 ' HB2' ' A' ' 25' ' ' HIS . 14.9 tt -131.82 142.24 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.188 -0.945 . . . . 0.0 109.806 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 23' ' ' THR . 95.8 t -135.4 113.59 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.531 -0.73 . . . . 0.0 109.24 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.515 ' HA3' ' SD ' ' A' ' 22' ' ' MET . . . 59.6 -99.74 0.16 Allowed Glycine 0 N--CA 1.502 3.04 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.3 m -122.7 23.96 9.31 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.199 -1.177 . . . . 0.0 110.635 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.402 HD11 HG23 ' A' ' 49' ' ' ILE . 90.2 mt -130.26 137.16 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 120.934 -1.103 . . . . 0.0 109.515 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.41 146.66 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.182 -0.949 . . . . 0.0 108.894 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.626 HG23 ' CA ' ' A' ' 69' ' ' MET . 27.3 m -146.2 125.08 12.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.401 -0.812 . . . . 0.0 110.273 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 43' ' ' ALA . 22.0 mt-10 -111.1 151.02 28.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.967 -1.083 . . . . 0.0 109.721 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 54' ' ' GLU . . . -174.81 -110.85 0.26 Allowed Glycine 0 N--CA 1.5 2.901 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.652 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 1.1 tp10 85.72 -82.9 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.402 0 O-C-N 122.109 -0.642 . . . . 0.0 109.921 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.141 0 O-C-N 120.789 -1.194 . . . . 0.0 110.213 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 10' ' ' ILE . 37.8 mmtt . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 13.5 mtpt -67.76 -56.14 10.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.578 -0.702 . . . . 0.0 109.108 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.561 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 8.7 ttt-85 -63.48 -41.21 98.59 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.394 -0.816 . . . . 0.0 110.615 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.58 75.09 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.045 -1.034 . . . . 0.0 109.363 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.494 ' CB ' HG13 ' A' ' 10' ' ' ILE . . . -66.82 -50.89 61.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.347 -0.846 . . . . 0.0 109.762 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -56.02 -48.93 75.02 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.398 -0.814 . . . . 0.0 109.284 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 6.4 tmtt? -52.73 -42.72 65.15 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.303 -0.873 . . . . 0.0 109.515 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.626 ' CA ' HG23 ' A' ' 51' ' ' THR . 3.8 ttt -71.66 -38.33 70.69 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.852 -1.155 . . . . 0.0 109.152 178.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.458 HD21 HG22 ' A' ' 13' ' ' VAL . 24.5 mt -59.67 -50.07 75.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.143 -0.973 . . . . 0.0 108.956 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.455 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 25.2 m -66.42 -22.76 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 120.934 -1.104 . . . . 0.0 110.214 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.73 -53.96 6.59 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.469 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 20.6 mt -62.81 -32.4 73.58 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.68 -0.637 . . . . 0.0 110.73 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -77.77 11.76 2.0 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.826 -1.171 . . . . 0.0 111.245 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -127.77 -7.19 5.6 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.747 -1.221 . . . . 0.0 111.629 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.0 110.07 -179.643 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 CA--C 1.539 0.742 0 CA-C-O 120.835 0.265 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.494 HD13 HG23 ' A' ' 10' ' ' ILE . 64.7 mt -131.57 -67.17 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.748 -1.22 . . . . 0.0 111.013 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 12' ' ' GLN . 66.2 p -42.72 -66.39 0.37 Allowed 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.224 -0.923 . . . . 0.0 110.608 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.481 ' HA ' ' CD ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -52.3 -40.27 61.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.314 -0.866 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.468 ' CG2' ' HG ' ' A' ' 70' ' ' LEU . 40.4 t -59.58 -43.18 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -64.53 -45.17 88.32 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.481 ' CD ' ' HA ' ' A' ' 12' ' ' GLN . 28.0 mt-10 -55.04 -50.16 69.79 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.532 -0.73 . . . . 0.0 109.182 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.69 -45.78 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.312 -0.868 . . . . 0.0 109.401 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.425 ' HA3' HG23 ' A' ' 24' ' ' VAL . . . -56.24 -53.55 42.03 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.8 -44.91 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.469 -1.018 . . . . 0.0 108.99 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.5 tptt -54.26 -45.6 72.43 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.336 -0.852 . . . . 0.0 109.81 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.65 14.78 14.18 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.904 . . . . 0.0 110.364 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 51.34 38.14 20.8 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.131 -0.98 . . . . 0.0 109.912 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.6 mtt -97.71 134.52 40.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.209 -0.932 . . . . 0.0 110.129 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.508 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -73.74 79.17 1.56 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.041 -1.037 . . . . 0.0 109.014 179.115 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.425 HG23 ' HA3' ' A' ' 17' ' ' GLY . 15.8 t -88.44 97.98 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.517 -0.739 . . . . 0.0 109.32 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.44 ' NE2' HG23 ' A' ' 23' ' ' THR . 11.4 m-70 -132.15 116.46 17.02 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.08 -1.012 . . . . 0.0 109.803 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.638 ' HB3' ' CB ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -130.69 154.82 47.53 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.982 -1.074 . . . . 0.0 110.712 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.98 151.81 6.15 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.448 -0.782 . . . . 0.0 109.868 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.618 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 4.8 m -76.33 150.83 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.033 -1.042 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mt -97.08 -42.8 7.69 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.164 -0.96 . . . . 0.0 109.027 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 tpt85 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.532 -0.73 . . . . 0.0 109.41 179.689 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.436 ' HB3' ' OE1' ' A' ' 54' ' ' GLU . 22.4 m-85 . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.472 0.653 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.2 mp -143.58 105.62 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.426 -0.796 . . . . 0.0 109.048 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.618 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 1.1 m -108.31 124.7 50.73 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.087 -1.008 . . . . 0.0 110.571 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 26' ' ' PHE . . . -80.8 122.68 27.48 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.638 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . 19.3 p -123.21 136.27 54.66 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.167 -0.958 . . . . 0.0 111.374 -178.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mt -117.51 134.8 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.575 HG23 ' HB ' ' A' ' 49' ' ' ILE . 5.6 m -133.24 88.3 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-O 121.794 0.806 . . . . 0.0 109.065 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.508 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 49.38 75.02 0.22 Allowed Glycine 0 N--CA 1.501 3.027 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 t 79.17 -43.14 0.31 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.475 -1.015 . . . . 0.0 111.369 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.575 ' HB ' HG23 ' A' ' 46' ' ' VAL . 43.5 mt -71.98 135.52 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.608 -1.308 . . . . 0.0 109.204 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.43 148.26 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 120.826 -1.171 . . . . 0.0 110.718 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.71 157.1 34.52 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 4.3 pt-20 -147.55 159.09 44.14 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.403 -1.435 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 127.2 166.53 12.15 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.436 ' OE1' ' HB3' ' A' ' 40' ' ' PHE . 1.5 tt0 -160.43 -163.66 1.13 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.986 -1.302 . . . . 0.0 111.051 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 64' ' ' ARG . . . . . . . . 0 N--CA 1.5 2.965 0 O-C-N 121.35 -0.844 . . . . 0.0 111.295 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.8 pttt . . . . . 0 N--CA 1.504 2.238 0 CA-C-O 120.907 0.384 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.594 ' CE ' ' HG3' ' A' ' 67' ' ' GLU . 1.6 tptm -60.95 -39.07 88.08 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.041 -1.037 . . . . 0.0 109.796 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.427 ' NH1' ' HA2' ' A' ' 55' ' ' GLY . 12.7 ttt-85 -77.23 -46.54 22.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.141 -0.974 . . . . 0.0 110.325 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.29 -47.51 70.4 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.236 -0.915 . . . . 0.0 110.665 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.03 -55.23 11.44 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.93 -1.106 . . . . 0.0 111.333 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.594 ' HG3' ' CE ' ' A' ' 63' ' ' LYS . 1.4 mt-10 -55.3 -40.21 70.82 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.838 -1.164 . . . . 0.0 109.915 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -57.84 -47.84 81.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.02 -1.05 . . . . 0.0 108.986 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.408 ' HG2' ' CG1' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -64.11 -47.16 81.08 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.339 -0.85 . . . . 0.0 109.3 178.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -60.55 -38.5 84.71 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.265 -0.897 . . . . 0.0 110.408 179.577 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.24 -50.83 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.182 -0.948 . . . . 0.0 109.624 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -46.4 89.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.247 -0.908 . . . . 0.0 109.316 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.423 HD13 ' CB ' ' A' ' 46' ' ' VAL . 92.9 mt -72.32 -8.74 56.54 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.302 -0.873 . . . . 0.0 110.776 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -15.86 63.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.693 -1.255 . . . . 0.0 110.27 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.52 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -122.33 -5.12 8.84 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.104 -0.998 . . . . 0.0 111.022 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.0 mt . . . . . 0 N--CA 1.49 1.558 0 O-C-N 120.594 -1.316 . . . . 0.0 110.578 -179.146 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 CA--C 1.545 1.041 0 CA-C-O 120.566 0.153 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.0 mt -48.44 -49.2 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 120.948 -1.095 . . . . 0.0 110.061 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 p -53.99 -60.31 3.49 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.377 -0.827 . . . . 0.0 109.45 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -53.54 -41.21 66.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.609 -0.682 . . . . 0.0 110.159 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.8 t -59.88 -45.27 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.94 -1.1 . . . . 0.0 108.378 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -63.81 -44.01 94.54 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -58.26 -48.23 81.08 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.656 -0.652 . . . . 0.0 109.499 179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.418 HG21 HD12 ' A' ' 16' ' ' ILE . 89.3 mt -59.26 -46.61 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.326 -0.859 . . . . 0.0 109.621 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 -48.61 80.26 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.449 HG13 HG23 ' A' ' 24' ' ' VAL . 43.5 mt -62.46 -49.42 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.417 -1.049 . . . . 0.0 109.632 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -54.29 -39.78 67.27 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.358 -0.839 . . . . 0.0 110.197 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' NH2' ' O ' ' A' ' 73' ' ' LEU . 6.3 mtm180 -91.12 18.76 6.45 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.109 -0.994 . . . . 0.0 110.341 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 52.17 38.62 24.92 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.13 -0.981 . . . . 0.0 110.181 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.7 mtp -101.64 138.73 38.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.045 -1.034 . . . . 0.0 109.9 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -56.91 110.24 0.78 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.238 -0.914 . . . . 0.0 109.824 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.449 HG23 HG13 ' A' ' 18' ' ' ILE . 41.3 t -81.92 69.37 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.869 -1.144 . . . . 0.0 109.063 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.517 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 10.0 m-70 -85.44 84.94 7.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.93 -1.107 . . . . 0.0 110.339 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -109.87 115.21 29.4 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.251 -0.905 . . . . 0.0 108.749 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CE ' ' O ' ' A' ' 28' ' ' VAL . 2.2 ttpt -154.58 141.73 19.41 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.861 -1.15 . . . . 0.0 110.765 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.637 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 17.8 t -86.3 142.16 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.927 -1.108 . . . . 0.0 109.343 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 52' ' ' GLU . 2.3 mt -95.05 -41.45 9.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.252 -0.905 . . . . 0.0 109.952 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 . . . . . 0 N--CA 1.497 1.912 0 O-C-N 121.392 -0.817 . . . . 0.0 110.908 -179.848 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.413 ' N ' ' CD1' ' A' ' 40' ' ' PHE . 6.5 m-85 . . . . . 0 N--CA 1.493 1.713 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.584 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 55.3 mt -97.67 91.36 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 120.794 -1.191 . . . . 0.0 110.648 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.637 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 55.1 m -95.08 128.74 42.14 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.199 -0.938 . . . . 0.0 108.85 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 51' ' ' THR . . . -113.68 168.11 10.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.892 -1.13 . . . . 0.0 111.921 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.734 ' O ' HG11 ' A' ' 50' ' ' VAL . 14.1 m -152.79 159.87 43.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.687 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -170.2 143.71 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.366 -0.833 . . . . 0.0 110.845 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.576 HG23 ' HB ' ' A' ' 49' ' ' ILE . 3.7 m -134.64 95.14 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.69 -86.8 0.16 Allowed Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 p -131.47 25.95 4.78 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.269 -1.136 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.576 ' HB ' HG23 ' A' ' 46' ' ' VAL . 53.2 mt -124.89 150.29 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 120.915 -1.116 . . . . 0.0 109.685 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.734 HG11 ' O ' ' A' ' 44' ' ' CYS . 17.1 t 71.33 179.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.891 -0.506 . . . . 0.0 109.646 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.611 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.6 p -169.65 -77.65 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.594 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -151.94 171.44 17.8 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.187 -0.946 . . . . 0.0 110.943 179.619 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.57 107.46 0.33 Allowed Glycine 0 N--CA 1.5 2.935 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 2.5 mp0 -74.26 69.62 1.59 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.273 -1.133 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.8 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.928 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.467 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.995 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -69.26 -53.04 21.8 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -42.44 96.4 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.948 -0.47 . . . . 0.0 110.355 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -56.03 -44.59 78.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.127 -0.983 . . . . 0.0 108.489 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.73 -43.77 68.23 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -48.56 -51.81 25.86 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.545 -0.722 . . . . 0.0 109.295 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.487 ' HA ' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -63.56 -51.39 65.61 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.319 -0.863 . . . . 0.0 109.031 179.002 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.472 ' HG2' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -48.74 -41.94 33.77 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.265 -0.897 . . . . 0.0 110.185 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.0 mt -67.98 -54.93 14.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.203 -0.936 . . . . 0.0 110.305 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.487 HG23 ' HA ' ' A' ' 68' ' ' LYS . 35.1 m -57.6 -34.06 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.842 -1.161 . . . . 0.0 109.537 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 68' ' ' LYS . 1.6 mt-10 -71.98 -51.79 20.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.044 -1.035 . . . . 0.0 108.795 178.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.491 ' O ' ' NH2' ' A' ' 20' ' ' ARG . 41.9 mt -64.01 -22.91 67.13 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 109.918 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -86.68 -17.11 34.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.87 -1.144 . . . . 0.0 109.695 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -103.17 -16.41 15.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.407 -0.808 . . . . 0.0 109.758 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.916 -179.48 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo . . . . . 0 CA--C 1.536 0.611 0 N-CA-C 110.32 -0.685 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.407 HG23 HD11 ' A' ' 10' ' ' ILE . 46.0 mm -62.77 -42.2 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.014 -1.053 . . . . 0.0 109.174 179.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -62.02 1.93 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.308 -0.87 . . . . 0.0 109.689 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.42 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 22.8 mt-30 -53.56 -41.98 67.07 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.406 -0.809 . . . . 0.0 110.116 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.567 HG23 HD11 ' A' ' 70' ' ' LEU . 74.0 t -58.33 -41.11 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 120.872 -1.143 . . . . 0.0 108.201 178.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -69.39 -41.66 76.18 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 3.4 mt-10 -56.86 -43.32 81.08 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.711 -0.618 . . . . 0.0 109.948 179.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.4 pp -83.43 -28.86 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.925 -1.109 . . . . 0.0 110.161 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.503 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -72.97 -55.53 6.33 Favored Glycine 0 N--CA 1.499 2.885 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.509 HD13 HG23 ' A' ' 18' ' ' ILE . 47.6 mm -76.32 63.8 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 CA-C-O 122.252 1.025 . . . . 0.0 108.331 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.444 ' HD3' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -171.4 -49.57 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -0.904 . . . . 0.0 109.113 -179.075 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.09 34.22 2.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.302 -0.874 . . . . 0.0 109.672 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t30 50.72 49.13 21.56 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.273 -0.892 . . . . 0.0 110.182 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.558 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 11.7 mtp -116.69 115.9 26.52 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.03 -1.044 . . . . 0.0 110.05 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.505 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -75.12 95.35 3.07 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.246 -0.909 . . . . 0.0 109.836 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.493 HG13 HG13 ' A' ' 13' ' ' VAL . 94.5 t -82.93 107.65 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.313 -0.867 . . . . 0.0 109.749 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.514 ' HB2' HG22 ' A' ' 45' ' ' ILE . 8.2 m-70 -130.24 108.99 10.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.99 -1.069 . . . . 0.0 109.791 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.433 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 75.2 m-85 -79.75 161.96 25.42 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.144 -0.973 . . . . 0.0 110.129 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -159.5 149.41 18.69 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.198 -0.939 . . . . 0.0 110.176 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -114.8 128.35 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.018 -1.051 . . . . 0.0 108.593 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mt -78.82 -58.9 3.01 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.137 -0.977 . . . . 0.0 109.571 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.093 0 O-C-N 121.408 -0.808 . . . . 0.0 110.421 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 N--CA 1.5 2.044 0 CA-C-O 121.52 0.676 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 tp -88.43 122.05 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.155 -0.966 . . . . 0.0 109.771 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.409 ' HB ' ' HB1' ' A' ' 65' ' ' ALA . 60.9 m -113.66 123.73 50.62 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.162 -0.961 . . . . 0.0 110.316 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.33 118.41 32.82 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.154 -0.966 . . . . 0.0 109.672 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.405 ' SG ' ' HD1' ' A' ' 26' ' ' PHE . 39.6 m -103.01 137.4 41.25 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.994 -1.066 . . . . 0.0 110.458 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.56 HG13 HG21 ' A' ' 50' ' ' VAL . 10.8 tt -123.36 138.44 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.299 -0.875 . . . . 0.0 108.942 178.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.558 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 87.9 t -136.8 101.66 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.377 -0.827 . . . . 0.0 109.59 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.505 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 67.44 -99.67 0.54 Allowed Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.7 p -119.54 26.68 9.23 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.378 -1.072 . . . . 0.0 110.454 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.7 mp -133.67 147.62 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.937 -1.102 . . . . 0.0 109.992 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.56 HG21 HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -134.31 143.95 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.202 -0.936 . . . . 0.0 109.35 179.284 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.641 ' HB ' ' HG2' ' A' ' 69' ' ' MET . 73.5 m -145.42 130.71 18.57 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.556 -0.715 . . . . 0.0 109.661 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -88.54 144.65 26.2 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.284 -0.885 . . . . 0.0 110.695 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.649 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -127.56 104.96 0.71 Allowed Glycine 0 N--CA 1.497 2.714 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -78.16 86.37 4.3 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.393 -1.063 . . . . 0.0 110.877 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.322 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 178.935 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.6 mttt . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -65.71 -71.55 0.19 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -41.92 -38.51 1.59 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.41 -0.806 . . . . 0.0 110.801 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.649 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . . . -72.0 -46.19 58.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.373 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.46 -48.49 69.76 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.29 -0.881 . . . . 0.0 109.384 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.08 -48.03 61.71 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.633 -0.667 . . . . 0.0 109.46 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HB3' HG21 ' A' ' 51' ' ' THR . 1.1 mmmt -57.18 -52.62 64.58 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.404 -0.81 . . . . 0.0 108.92 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.641 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -56.11 -50.32 71.39 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.472 -0.767 . . . . 0.0 109.897 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.567 HD11 HG23 ' A' ' 13' ' ' VAL . 65.7 mt -57.35 -52.55 64.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.387 -0.821 . . . . 0.0 109.243 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.4 t -55.74 -42.86 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.55 -0.719 . . . . 0.0 109.514 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -59.13 -62.43 1.89 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.388 -0.82 . . . . 0.0 111.066 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.13 -33.77 70.41 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.815 -1.178 . . . . 0.0 111.527 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 30.0 mt-30 -71.91 -16.53 62.12 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.587 -1.321 . . . . 0.0 109.623 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.499 ' HZ3' ' C ' ' A' ' 76' ' ' LEU . 4.8 tptp -93.05 -57.62 2.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.274 -0.891 . . . . 0.0 109.235 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.499 ' C ' ' HZ3' ' A' ' 75' ' ' LYS . 5.0 mt . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 119.345 -0.36 . . . . 0.0 111.195 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.596 ' HA ' HG21 ' A' ' 13' ' ' VAL . 32.3 Cg_endo . . . . . 0 CA--C 1.544 0.99 0 CA-C-O 120.762 0.234 . . . . 0.0 112.36 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -115.55 -67.68 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.634 -1.291 . . . . 0.0 109.407 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 p -63.87 -73.73 0.11 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.96 -1.087 . . . . 0.0 110.127 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.76 -43.98 6.41 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.547 -0.721 . . . . 0.0 110.977 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.657 ' CG2' ' HG ' ' A' ' 70' ' ' LEU . 90.1 t -59.68 -52.34 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.935 -1.103 . . . . 0.0 108.955 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.441 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 12.8 m-70 -59.8 -39.47 85.08 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.93 -51.91 67.7 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.6 mt -58.95 -40.2 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.827 . . . . 0.0 108.857 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.26 -45.36 83.13 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 108.589 -1.805 . . . . 0.0 108.589 178.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 18' ' ' ILE . 41.9 mm -94.47 49.31 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-O 122.112 0.958 . . . . 0.0 108.502 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -153.94 -58.33 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.84 -1.162 . . . . 0.0 109.511 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.64 32.51 1.22 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.204 -0.935 . . . . 0.0 109.462 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 50.26 38.05 16.55 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.471 -0.768 . . . . 0.0 110.046 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.2 mtt -93.54 -26.68 17.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.281 -0.887 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.505 ' O ' HG21 ' A' ' 45' ' ' ILE . 0.2 OUTLIER 50.17 56.7 7.52 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.144 -0.973 . . . . 0.0 109.585 -179.779 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 45' ' ' ILE . 13.7 p -70.13 116.1 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.364 -0.835 . . . . 0.0 110.694 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.634 ' HB2' ' HB ' ' A' ' 45' ' ' ILE . 94.4 m-70 -122.45 119.18 30.22 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.236 -0.915 . . . . 0.0 109.504 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CE1' ' HA ' ' A' ' 66' ' ' ALA . 71.7 m-85 -98.55 125.37 43.77 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.287 -0.883 . . . . 0.0 110.201 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -148.21 155.86 41.87 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -0.931 . . . . 0.0 110.256 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.6 p -98.18 157.18 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.178 -0.951 . . . . 0.0 109.479 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 7.1 mt -102.9 -62.38 1.28 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.152 -0.968 . . . . 0.0 109.377 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 6.4 ptp85 . . . . . 0 N--CA 1.504 2.228 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.06 0.457 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.472 ' CG2' ' HA2' ' A' ' 53' ' ' GLY . 22.6 mm -126.44 123.23 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.449 -0.782 . . . . 0.0 109.24 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.468 ' HB ' ' HB1' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -95.06 159.03 15.21 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.22 -0.925 . . . . 0.0 110.007 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.634 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . . . -133.8 136.01 44.22 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.999 -1.063 . . . . 0.0 109.767 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.505 ' HB3' ' HE2' ' A' ' 69' ' ' MET . 34.2 t -131.19 145.05 51.79 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.995 -1.066 . . . . 0.0 110.378 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.634 ' HB ' ' HB2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -98.39 126.88 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.321 -0.862 . . . . 0.0 109.107 179.433 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.588 ' HB ' ' CE ' ' A' ' 69' ' ' MET . 14.1 p -123.59 112.77 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.486 -0.759 . . . . 0.0 109.493 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -7.21 75.39 0.0 OUTLIER Glycine 1 N--CA 1.517 4.082 0 C-N-CA 123.432 0.539 . . . . 0.0 112.973 -179.352 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 m 157.08 -63.51 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 O-C-N 122.034 -0.686 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.447 HG13 ' C ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -153.3 -169.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.366 -0.834 . . . . 0.0 109.375 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.7 t -99.96 150.97 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.028 -1.045 . . . . 0.0 109.415 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.616 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -166.95 140.51 3.73 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.342 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.634 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . 5.9 tp10 171.23 -128.03 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.902 -0.499 . . . . 0.0 110.088 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 41' ' ' ILE . . . 116.95 -139.85 15.45 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 56.66 173.56 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.878 0.847 . . . . 0.0 111.188 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.92 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -179.682 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.3 tttt . . . . . 0 N--CA 1.501 2.095 0 CA-C-O 121.028 0.442 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HB3' ' HE2' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -72.44 -78.23 0.09 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.387 -0.82 . . . . 0.0 109.451 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -39.25 -41.57 0.89 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.505 -0.747 . . . . 0.0 111.051 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.468 ' HB1' ' HB ' ' A' ' 42' ' ' THR . . . -59.75 -66.34 0.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.387 -0.821 . . . . 0.0 108.988 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.415 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -51.24 -45.26 61.93 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.166 -0.959 . . . . 0.0 110.023 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.466 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -52.33 -53.12 48.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.434 -0.791 . . . . 0.0 109.376 179.289 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.475 ' O ' HG13 ' A' ' 71' ' ' VAL . 2.5 tttt -67.08 -50.48 61.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.48 -0.763 . . . . 0.0 110.402 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.588 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -52.62 -54.69 29.68 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.285 -0.884 . . . . 0.0 110.536 -179.254 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.657 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -72.11 -41.17 67.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.909 -1.119 . . . . 0.0 111.584 -178.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 68' ' ' LYS . 0.8 OUTLIER -52.94 -29.57 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 120.415 -1.428 . . . . 0.0 109.375 179.648 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.84 -50.84 5.52 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.18 -0.95 . . . . 0.0 109.401 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.479 ' CD1' ' SD ' ' A' ' 69' ' ' MET . 37.7 mt -65.7 -17.22 64.45 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.277 -0.889 . . . . 0.0 111.704 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -76.91 10.02 2.54 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.626 -1.296 . . . . 0.0 110.37 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -118.35 -43.9 2.7 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.075 -1.016 . . . . 0.0 110.879 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.949 -178.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.52 ' HB2' ' CB ' ' A' ' 66' ' ' ALA . 36.0 Cg_endo . . . . . 0 CA--C 1.543 0.965 0 CA-C-O 121.263 0.443 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.411 HG22 HD12 ' A' ' 10' ' ' ILE . 35.2 mm -136.6 -69.23 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.948 -1.095 . . . . 0.0 109.745 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.01 -61.37 2.36 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.223 -0.923 . . . . 0.0 109.875 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -52.49 -33.89 46.8 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.78 -0.575 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.566 HG21 ' HG ' ' A' ' 70' ' ' LEU . 44.8 t -63.1 -47.25 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.843 -1.16 . . . . 0.0 108.388 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -67.0 -38.52 86.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.88 -46.04 91.14 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.355 -0.841 . . . . 0.0 109.211 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -48.43 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.31 -0.869 . . . . 0.0 108.82 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.99 72.52 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.71 -41.73 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.326 -1.102 . . . . 0.0 109.101 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.89 -45.85 15.54 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.672 -0.643 . . . . 0.0 110.586 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.432 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -106.73 18.59 21.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.11 -0.994 . . . . 0.0 110.276 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.24 51.84 5.3 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.887 0.851 . . . . 0.0 109.389 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.54 ' HG2' ' HA3' ' A' ' 47' ' ' GLY . 27.7 mtt -124.64 119.36 28.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.37 -0.832 . . . . 0.0 110.066 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.66 135.4 52.76 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.201 -0.937 . . . . 0.0 109.8 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.496 HG12 HG13 ' A' ' 13' ' ' VAL . 58.8 t -108.37 111.38 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.507 -0.746 . . . . 0.0 109.684 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.539 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 11.3 m-70 -132.25 112.86 12.6 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.918 -1.114 . . . . 0.0 110.448 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 44' ' ' CYS . 89.3 m-85 -85.47 173.13 10.47 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.137 -0.977 . . . . 0.0 110.663 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 178.53 145.12 0.13 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.652 -0.655 . . . . 0.0 109.458 179.752 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.574 ' C ' ' HG ' ' A' ' 29' ' ' LEU . 59.2 t -89.41 -2.77 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 O-C-N 120.746 -1.221 . . . . 0.0 110.812 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.574 ' HG ' ' C ' ' A' ' 28' ' ' VAL . 5.5 mt 73.7 -37.9 0.39 Allowed 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.344 -0.848 . . . . 0.0 110.433 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' H ' ' C ' ' A' ' 28' ' ' VAL . 3.5 ttp180 . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.544 -0.722 . . . . 0.0 110.269 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.471 ' N ' ' CD1' ' A' ' 40' ' ' PHE . 8.2 m-30 . . . . . 0 N--CA 1.51 2.565 0 CA-C-O 121.817 0.817 . . . . 0.0 112.154 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.634 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -46.75 123.51 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 121.709 -0.619 . . . . 0.0 111.171 -178.094 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.524 HG22 ' HB1' ' A' ' 65' ' ' ALA . 0.2 OUTLIER -115.31 130.71 56.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.043 -1.036 . . . . 0.0 109.082 178.466 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 52' ' ' GLU . . . -121.71 139.34 53.7 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.022 -1.049 . . . . 0.0 109.747 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.537 ' O ' HG12 ' A' ' 50' ' ' VAL . 52.5 t -121.37 149.14 43.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.957 . . . . 0.0 109.3 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.539 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 11.7 tt -122.56 125.58 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.1 t -134.17 95.16 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.483 -0.76 . . . . 0.0 109.722 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.54 ' HA3' ' HG2' ' A' ' 22' ' ' MET . . . 67.77 -84.19 0.16 Allowed Glycine 0 N--CA 1.501 2.996 0 O-C-N 121.187 -0.946 . . . . 0.0 110.875 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -123.03 -18.69 6.31 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.303 -1.116 . . . . 0.0 111.265 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.0 pt -92.75 131.72 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.787 -1.195 . . . . 0.0 109.693 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.552 ' CG1' ' H ' ' A' ' 51' ' ' THR . 3.3 t -131.89 -179.06 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.926 -1.109 . . . . 0.0 110.761 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.552 ' H ' ' CG1' ' A' ' 50' ' ' VAL . 9.4 m 82.26 161.95 0.14 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -177.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HB2' ' N ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -145.38 -76.89 0.21 Allowed 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 117.638 -1.625 . . . . 0.0 110.961 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.52 161.81 22.75 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.634 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 11.1 mp0 -69.73 107.75 3.61 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.262 -1.14 . . . . 0.0 111.013 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.532 ' CA ' ' HD2' ' A' ' 64' ' ' ARG . . . . . . . . 0 N--CA 1.494 2.532 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.5 tttt . . . . . 0 N--CA 1.509 2.51 0 CA-C-O 122.104 0.954 . . . . 0.0 108.635 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.84 -68.07 0.19 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.532 ' HD2' ' CA ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -48.97 -45.73 42.53 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.404 0.621 . . . . 0.0 110.004 177.166 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HB1' HG22 ' A' ' 42' ' ' THR . . . -58.17 -50.1 74.71 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.757 0.789 . . . . 0.0 109.864 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.52 ' CB ' ' HB2' ' A' ' 9' ' ' PRO . . . -59.17 -46.17 89.11 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -0.981 . . . . 0.0 110.649 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.17 -47.13 75.61 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.142 -0.974 . . . . 0.0 109.645 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.428 ' O ' HG11 ' A' ' 71' ' ' VAL . 2.7 ttpm? -62.45 -49.12 76.67 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.51 -0.744 . . . . 0.0 109.545 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -40.97 91.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.098 -1.001 . . . . 0.0 109.51 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.566 ' HG ' HG21 ' A' ' 13' ' ' VAL . 9.1 mt -65.45 -55.43 18.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.206 -0.934 . . . . 0.0 109.877 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 68' ' ' LYS . 9.9 p -58.05 -34.61 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.316 -0.865 . . . . 0.0 109.642 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -69.02 -55.4 10.94 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.079 -1.013 . . . . 0.0 109.535 178.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.54 -30.68 70.8 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.147 -0.97 . . . . 0.0 110.548 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -85.91 -11.45 53.17 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.931 -1.106 . . . . 0.0 110.565 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.493 ' HE2' ' O ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -112.72 -21.97 10.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.066 -1.022 . . . . 0.0 110.522 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 117.473 -1.251 . . . . 0.0 110.987 179.716 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo . . . . . 0 N--CA 1.482 0.797 0 CA-C-O 121.561 0.567 . . . . 0.0 111.51 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 10' ' ' ILE . 43.8 mm -111.01 -53.09 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.108 -0.995 . . . . 0.0 109.468 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -48.3 -63.49 1.06 Allowed 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.32 -0.862 . . . . 0.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -50.6 -40.36 52.47 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.266 -0.896 . . . . 0.0 110.478 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.2 t -59.53 -44.3 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.875 -1.14 . . . . 0.0 108.16 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -66.21 -43.85 85.53 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -56.89 -44.34 82.22 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.53 -0.731 . . . . 0.0 109.107 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.454 HG21 HD13 ' A' ' 16' ' ' ILE . 36.8 mm -70.23 -40.39 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.049 -1.032 . . . . 0.0 109.038 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.25 -50.49 67.22 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.476 HG21 ' O ' ' A' ' 18' ' ' ILE . 4.7 mt -80.43 52.53 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.424 -1.045 . . . . 0.0 108.623 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -155.81 -54.65 0.09 Allowed 'General case' 0 C--N 1.295 -1.761 0 O-C-N 120.995 -1.066 . . . . 0.0 108.696 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -93.51 29.63 1.94 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.497 -0.752 . . . . 0.0 109.196 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 t30 53.9 52.38 13.07 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.351 -0.843 . . . . 0.0 110.147 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.2 mtm -126.59 112.14 15.16 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.981 -1.074 . . . . 0.0 110.538 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -66.25 119.8 12.14 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.11 -0.994 . . . . 0.0 109.226 179.023 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.6 t -99.49 110.83 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.413 -0.804 . . . . 0.0 109.969 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.558 ' HB2' HG21 ' A' ' 45' ' ' ILE . 9.9 m-70 -131.71 127.03 35.99 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.987 -1.07 . . . . 0.0 109.965 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -93.86 144.18 25.67 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.24 -0.912 . . . . 0.0 109.671 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -150.89 128.6 11.57 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.163 -0.96 . . . . 0.0 110.481 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.2 t -87.24 138.59 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.943 -1.098 . . . . 0.0 108.81 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.69 -55.55 5.75 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.171 -0.956 . . . . 0.0 109.8 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.499 2.013 0 O-C-N 121.342 -0.849 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.572 0.701 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.474 HG21 ' HG2' ' A' ' 54' ' ' GLU . 1.4 mp -82.32 108.3 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.232 -0.917 . . . . 0.0 109.66 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -116.37 130.91 57.02 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.892 -1.13 . . . . 0.0 109.357 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -109.64 155.63 21.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.929 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 5.6 t -133.79 139.63 46.42 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -0.998 . . . . 0.0 109.843 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.558 HG21 ' HB2' ' A' ' 25' ' ' HIS . 16.9 tt -110.55 133.05 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' A' ' 23' ' ' THR . 9.8 p -131.91 109.7 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 CA-C-O 121.841 0.829 . . . . 0.0 109.45 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.27 -106.28 0.89 Allowed Glycine 0 N--CA 1.501 2.995 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.52 23.4 12.4 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.314 -1.11 . . . . 0.0 110.331 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.8 151.51 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.026 -1.046 . . . . 0.0 109.809 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -128.18 149.59 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.036 -1.04 . . . . 0.0 109.322 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.471 ' OG1' ' HE1' ' A' ' 69' ' ' MET . 38.7 p -141.97 126.87 18.24 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.141 -0.974 . . . . 0.0 110.353 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 14.2 mt-10 -94.38 149.17 21.5 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.274 -0.891 . . . . 0.0 110.388 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.64 108.66 0.65 Allowed Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' HG2' HG21 ' A' ' 41' ' ' ILE . 5.5 mt-10 -81.17 79.57 7.8 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.406 -1.056 . . . . 0.0 110.173 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.003 0 O-C-N 120.809 -1.182 . . . . 0.0 110.721 -179.884 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -64.98 0.74 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.36 -0.838 . . . . 0.0 109.44 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -35.81 73.7 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.427 -0.796 . . . . 0.0 110.53 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.37 -49.05 75.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.983 -1.073 . . . . 0.0 108.79 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.94 83.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.564 -0.71 . . . . 0.0 109.241 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -50.3 -56.01 13.04 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.473 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.17 -49.67 76.97 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.084 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.471 ' HE1' ' OG1' ' A' ' 51' ' ' THR . 9.2 ttm -50.52 -49.44 55.75 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.214 -0.929 . . . . 0.0 110.218 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.9 mt -70.74 -43.04 69.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.886 -1.134 . . . . 0.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.53 -38.6 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.061 -1.025 . . . . 0.0 109.807 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' HG3' ' HG3' ' A' ' 68' ' ' LYS . 3.3 mm-40 -80.63 -40.55 25.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.079 -1.013 . . . . 0.0 109.203 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.19 -36.02 80.63 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.425 -0.797 . . . . 0.0 109.86 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -71.46 -0.3 10.06 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.196 -0.94 . . . . 0.0 110.17 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -95.95 -16.74 21.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.145 -0.972 . . . . 0.0 109.628 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 N--CA 1.485 1.324 0 O-C-N 121.463 -0.773 . . . . 0.0 110.079 -178.985 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 37.5 Cg_endo . . . . . 0 CA--C 1.545 1.049 0 CA-C-O 121.217 0.424 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.65 -56.92 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.367 0 O-C-N 121.262 -0.899 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.42 -48.29 37.3 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.005 -1.059 . . . . 0.0 110.805 -179.528 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.414 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 26.4 mt-30 -56.14 -43.78 78.57 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.964 -1.085 . . . . 0.0 109.512 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.514 ' HA ' HG12 ' A' ' 16' ' ' ILE . 48.1 t -62.14 -41.0 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.153 -0.967 . . . . 0.0 109.005 178.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.44 ' NE2' ' CD1' ' A' ' 26' ' ' PHE . 13.3 m-70 -64.12 -45.88 86.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.287 -0.883 . . . . 0.0 108.941 179.048 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 5.8 mm-40 -63.64 -48.8 75.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.704 -0.622 . . . . 0.0 110.368 179.689 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.514 HG12 ' HA ' ' A' ' 13' ' ' VAL . 46.2 pt -60.7 -33.13 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.656 -1.277 . . . . 0.0 109.507 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.428 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -71.17 -56.64 6.79 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 108.461 -1.856 . . . . 0.0 108.461 178.537 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -40.14 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -1.166 . . . . 0.0 109.387 178.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -54.68 -25.89 30.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.53 -0.731 . . . . 0.0 110.142 179.579 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -104.89 23.31 13.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 109.585 179.227 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 66.4 m-80 63.82 29.53 14.69 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.293 -0.88 . . . . 0.0 110.021 -179.596 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.8 mtp -107.73 131.23 54.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.087 -1.008 . . . . 0.0 110.063 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.421 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 5.1 p -72.54 119.01 16.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.232 -0.917 . . . . 0.0 109.881 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.428 HG21 ' HA3' ' A' ' 17' ' ' GLY . 12.5 t -115.7 106.63 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.39 -0.819 . . . . 0.0 109.595 179.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.5 ' HB2' HG21 ' A' ' 45' ' ' ILE . 52.9 m-70 -120.93 131.8 54.57 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.194 -0.941 . . . . 0.0 109.698 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 44' ' ' CYS . 3.3 m-85 -121.92 108.97 14.06 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.479 -0.763 . . . . 0.0 110.047 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.3 mmtt -150.59 172.19 15.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.92 -1.112 . . . . 0.0 109.942 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.86 131.46 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.724 -1.235 . . . . 0.0 109.688 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 pp -85.82 -21.36 28.15 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.603 -0.685 . . . . 0.0 110.687 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.497 1.924 0 O-C-N 120.982 -1.074 . . . . 0.0 109.995 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.559 0.695 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -116.6 105.75 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.365 -0.835 . . . . 0.0 109.438 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.531 ' O ' ' HA3' ' A' ' 53' ' ' GLY . 63.0 m -85.53 121.93 28.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.375 -0.828 . . . . 0.0 109.235 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.68 ' HA ' ' HA ' ' A' ' 51' ' ' THR . . . -86.81 112.5 21.77 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.876 -1.14 . . . . 0.0 108.797 179.34 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.53 ' HB2' ' HE3' ' A' ' 69' ' ' MET . 25.9 m -117.19 131.23 56.91 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.775 -1.203 . . . . 0.0 109.175 -179.617 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.5 HG21 ' HB2' ' A' ' 25' ' ' HIS . 14.8 tt -119.43 124.58 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.864 -1.148 . . . . 0.0 109.494 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.546 HG13 ' HB ' ' A' ' 49' ' ' ILE . 12.7 p -147.98 66.45 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 CA-C-O 121.965 0.888 . . . . 0.0 109.759 -179.299 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.4 -82.23 0.01 OUTLIER Glycine 0 N--CA 1.505 3.295 0 O-C-N 121.174 -0.954 . . . . 0.0 111.943 179.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 46' ' ' VAL . 8.0 t -76.46 -22.89 54.0 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.311 -1.111 . . . . 0.0 111.591 -178.494 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.599 ' HB ' ' HE1' ' A' ' 69' ' ' MET . 39.5 mm -119.49 148.73 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 O-C-N 120.621 -1.3 . . . . 0.0 110.982 -179.169 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.65 HG11 ' CG2' ' A' ' 51' ' ' THR . 55.3 t -137.83 160.79 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.547 -0.721 . . . . 0.0 109.322 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.68 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.8 t 21.09 -108.07 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.851 178.61 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.484 ' O ' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER 40.2 22.43 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.563 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.531 ' HA3' ' O ' ' A' ' 42' ' ' THR . . . -93.76 120.13 6.2 Favored Glycine 0 N--CA 1.491 2.308 0 C-N-CA 119.601 -1.285 . . . . 0.0 110.326 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 -136.86 0.11 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.331 -1.099 . . . . 0.0 108.787 179.495 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.725 0 O-C-N 120.995 -1.066 . . . . 0.0 111.199 179.436 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.435 ' HA ' HG21 ' A' ' 42' ' ' THR . 15.8 mtmt . . . . . 0 N--CA 1.501 2.086 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -63.43 -67.65 0.41 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.636 -0.665 . . . . 0.0 109.653 179.142 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.499 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -47.89 -47.5 31.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.676 -0.64 . . . . 0.0 110.247 179.707 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.505 ' CB ' ' CA ' ' A' ' 53' ' ' GLY . . . -58.95 -44.3 91.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.335 -0.853 . . . . 0.0 109.059 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.02 86.0 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.213 -0.929 . . . . 0.0 109.857 179.403 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.499 ' HG3' ' HA ' ' A' ' 64' ' ' ARG . 4.9 mt-10 -53.86 -44.8 70.68 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.801 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -58.45 -47.16 84.93 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.396 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.599 ' HE1' ' HB ' ' A' ' 49' ' ' ILE . 9.0 mtt -58.99 -55.19 38.33 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.527 -0.733 . . . . 0.0 110.562 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.8 mt -61.02 -46.42 90.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.129 -0.982 . . . . 0.0 110.888 -179.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.5 t -52.62 -47.9 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.117 -0.989 . . . . 0.0 110.461 -179.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -77.46 -48.38 17.27 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.409 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.4 mt -58.42 -32.18 68.42 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.109 -0.994 . . . . 0.0 111.01 -179.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -85.35 7.03 23.91 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.87 -1.144 . . . . 0.0 109.845 179.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.94 1.06 8.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.23 -0.919 . . . . 0.0 110.855 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 117.847 -1.073 . . . . 0.0 109.983 -179.808 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo . . . . . 0 CA--C 1.534 0.503 0 N-CA-C 109.914 -0.841 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.0 mt -57.65 -47.35 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.411 -0.805 . . . . 0.0 109.801 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 p -61.41 -52.73 63.38 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.946 -1.096 . . . . 0.0 109.326 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -57.84 -42.95 85.44 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.135 -0.978 . . . . 0.0 109.203 179.275 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.419 HG11 HG13 ' A' ' 24' ' ' VAL . 98.4 t -63.29 -42.42 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -58.08 -41.72 84.06 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -59.82 -57.89 10.94 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.7 mm -46.43 -43.4 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.331 -0.856 . . . . 0.0 110.195 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 -51.45 10.28 Favored Glycine 0 N--CA 1.498 2.799 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 18' ' ' ILE . 32.8 mm -79.39 50.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 122.134 0.968 . . . . 0.0 109.481 179.264 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -148.87 -45.11 0.15 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.563 -1.336 . . . . 0.0 109.562 179.599 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 32.6 mtm180 -93.28 -72.2 0.62 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 178.674 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER 173.27 55.53 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.633 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.556 ' SD ' HG11 ' A' ' 46' ' ' VAL . 22.5 mtt -143.4 130.35 20.55 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.845 -1.159 . . . . 0.0 110.95 -179.113 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -74.98 153.96 38.3 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.312 -0.867 . . . . 0.0 109.315 179.136 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.419 HG13 HG11 ' A' ' 13' ' ' VAL . 85.4 t -128.21 106.71 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.217 -0.927 . . . . 0.0 109.376 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.558 ' HB2' HG23 ' A' ' 45' ' ' ILE . 70.6 m-70 -116.63 121.24 41.13 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.071 -1.018 . . . . 0.0 110.104 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -114.12 134.88 54.59 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.401 -0.812 . . . . 0.0 109.262 179.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -154.93 132.77 11.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.99 -1.069 . . . . 0.0 110.703 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.629 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 74.1 t -79.45 146.38 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.128 -0.982 . . . . 0.0 109.067 179.027 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.492 HD22 ' HB2' ' A' ' 43' ' ' ALA . 7.5 mt -91.43 -59.07 2.24 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.298 -0.876 . . . . 0.0 109.501 -179.772 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 121.415 0.626 . . . . 0.0 110.474 179.58 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 55' ' ' GLY . 1.5 m-85 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.354 0.597 . . . . 0.0 109.657 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 tp -153.3 108.8 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.061 -1.025 . . . . 0.0 109.578 179.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.629 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 90.8 m -110.09 121.05 44.35 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.058 -1.026 . . . . 0.0 109.682 -179.414 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -93.87 152.12 19.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.263 -0.898 . . . . 0.0 109.483 179.568 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.507 ' HB2' ' HE2' ' A' ' 69' ' ' MET . 25.0 p -144.51 143.3 30.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.979 . . . . 0.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.558 HG23 ' HB2' ' A' ' 25' ' ' HIS . 7.7 tt -126.35 142.09 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.074 -1.016 . . . . 0.0 111.03 -179.336 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.556 HG11 ' SD ' ' A' ' 22' ' ' MET . 1.7 t -105.97 171.28 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.628 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -37.07 -46.36 1.25 Allowed Glycine 0 N--CA 1.508 3.484 0 O-C-N 121.313 -0.867 . . . . 0.0 111.262 179.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.9 p -141.99 38.37 1.61 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.083 -1.245 . . . . 0.0 110.294 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 24.4 mm -148.22 154.88 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.162 -0.961 . . . . 0.0 109.657 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.405 HG12 HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -129.98 140.01 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.834 -1.166 . . . . 0.0 109.127 179.029 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.49 ' HB ' ' SG ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -146.34 163.68 34.8 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.236 -0.915 . . . . 0.0 109.967 -179.804 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -126.88 170.01 12.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.08 -1.013 . . . . 0.0 109.814 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 65' ' ' ALA . . . -155.24 113.68 0.58 Allowed Glycine 0 N--CA 1.498 2.776 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -179.687 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.836 -0.802 . . . . 0.0 110.967 -179.752 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 40' ' ' PHE . . . . . . . . 0 N--CA 1.496 2.69 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -178.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.9 mttp . . . . . 0 N--CA 1.5 2.071 0 CA-C-O 120.608 0.242 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -60.38 1.53 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.848 -1.158 . . . . 0.0 109.232 178.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -56.55 -45.76 81.06 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.531 -0.73 . . . . 0.0 110.202 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.417 ' CB ' ' HA3' ' A' ' 53' ' ' GLY . . . -59.49 -47.33 85.93 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.299 -0.876 . . . . 0.0 109.45 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.98 85.22 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.495 -0.753 . . . . 0.0 110.223 179.715 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -53.73 -50.95 64.84 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.269 -0.894 . . . . 0.0 110.222 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -65.34 -41.24 94.11 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.148 -0.97 . . . . 0.0 109.867 179.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.507 ' HE2' ' HB2' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -63.73 -43.34 96.81 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.736 -1.228 . . . . 0.0 110.086 179.687 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 13' ' ' VAL . 15.0 mt -60.5 -48.2 82.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.985 -1.072 . . . . 0.0 110.493 -179.681 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.1 m -60.55 -28.36 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.893 -1.129 . . . . 0.0 109.395 179.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -59.69 2.68 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.571 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 69' ' ' MET . 10.9 mp -54.64 -24.01 19.71 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.642 -0.661 . . . . 0.0 110.61 179.174 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -35.35 64.05 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.963 -1.086 . . . . 0.0 109.807 179.538 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -109.99 -31.06 7.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.131 -0.981 . . . . 0.0 110.583 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.723 -179.885 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.7 Cg_endo . . . . . 0 CA--C 1.538 0.702 0 N-CA-C 110.518 -0.608 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -49.91 -52.17 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.308 -0.87 . . . . 0.0 109.962 179.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -62.32 1.86 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.381 -0.824 . . . . 0.0 109.448 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.421 ' O ' HG12 ' A' ' 16' ' ' ILE . 5.1 mt-30 -51.93 -38.58 56.88 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.53 -0.731 . . . . 0.0 110.321 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.474 ' CG2' HD21 ' A' ' 70' ' ' LEU . 39.1 t -60.52 -48.95 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 120.871 -1.143 . . . . 0.0 108.559 178.851 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.551 ' HA ' HG12 ' A' ' 24' ' ' VAL . 14.4 m-70 -64.11 -38.21 90.25 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.387 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 19.4 mt-10 -61.2 -55.48 31.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.68 -0.638 . . . . 0.0 109.795 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.441 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 48.8 pt -61.94 -34.48 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.019 -1.05 . . . . 0.0 110.571 -179.585 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.14 -49.33 72.36 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 mp -81.05 -33.98 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.394 -1.063 . . . . 0.0 110.468 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -60.6 -19.42 57.73 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.719 -1.238 . . . . 0.0 110.544 179.789 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -115.9 -77.63 0.57 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.583 -0.698 . . . . 0.0 109.458 179.691 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 175.31 50.87 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.307 -0.871 . . . . 0.0 110.273 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.4 mtt -135.96 121.26 19.14 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.597 -1.314 . . . . 0.0 111.157 -179.412 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.438 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -78.21 104.48 8.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.259 -0.901 . . . . 0.0 109.093 178.959 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 14' ' ' HIS . 14.8 p -97.2 119.34 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.285 -0.884 . . . . 0.0 110.081 -179.434 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.529 ' HB2' HG21 ' A' ' 45' ' ' ILE . 22.2 m-70 -131.79 121.7 24.59 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.955 -1.091 . . . . 0.0 110.11 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.546 ' CD1' ' HB3' ' A' ' 44' ' ' CYS . 68.3 m-85 -105.07 86.51 2.45 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.383 -0.823 . . . . 0.0 109.924 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -97.15 157.01 16.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.319 -0.863 . . . . 0.0 111.133 -179.449 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -106.36 160.89 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 6.8 mt -107.91 -68.32 0.91 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.94 -1.1 . . . . 0.0 109.991 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 7.0 ttt-85 . . . . . 0 N--CA 1.498 1.962 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 . . . . . 0 N--CA 1.502 2.144 0 CA-C-O 121.455 0.645 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.538 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 47.3 mt -146.97 84.27 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.296 -0.877 . . . . 0.0 109.759 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.449 HG22 ' CD ' ' A' ' 62' ' ' LYS . 1.8 m -77.25 118.89 20.19 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.879 -1.138 . . . . 0.0 109.48 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.09 136.17 39.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.012 -1.055 . . . . 0.0 109.52 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.546 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 11.0 p -124.53 131.02 53.49 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.947 -1.096 . . . . 0.0 110.496 -179.644 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.529 HG21 ' HB2' ' A' ' 25' ' ' HIS . 12.7 tt -115.81 141.99 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.36 -0.838 . . . . 0.0 109.266 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' SER . 4.8 p -132.2 157.76 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.443 -0.786 . . . . 0.0 109.177 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.72 67.51 0.07 OUTLIER Glycine 0 N--CA 1.508 3.447 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' VAL . 12.0 p 169.0 -38.0 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.873 -0.781 . . . . 0.0 109.879 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.4 -178.28 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.059 -1.025 . . . . 0.0 110.762 -179.379 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.423 HG23 HG13 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -139.61 142.87 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.323 -0.861 . . . . 0.0 109.059 179.297 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.7 m -144.35 157.03 44.47 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.617 -0.677 . . . . 0.0 109.556 179.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -93.49 132.16 38.03 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.798 -1.189 . . . . 0.0 109.862 179.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.686 ' HA3' ' CB ' ' A' ' 65' ' ' ALA . . . -96.58 81.29 0.74 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -75.5 136.97 40.61 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.681 -0.893 . . . . 0.0 110.641 179.859 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.86 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 178.994 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.449 ' CD ' HG22 ' A' ' 42' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.499 2.009 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -60.03 -61.74 2.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.385 -0.822 . . . . 0.0 108.836 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -30.55 60.91 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.516 -0.74 . . . . 0.0 109.856 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.686 ' CB ' ' HA3' ' A' ' 53' ' ' GLY . . . -67.65 -54.15 21.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 109.34 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.485 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -65.37 -40.64 93.81 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.323 -0.861 . . . . 0.0 109.466 179.306 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -51.75 -47.71 63.97 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.461 ' NZ ' ' OE2' ' A' ' 54' ' ' GLU . 28.1 mttm -58.77 -56.67 19.23 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.7 ttm -49.2 -54.06 18.32 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.463 -0.773 . . . . 0.0 110.508 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 HD21 ' CG2' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -61.56 -47.81 83.85 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.956 -1.09 . . . . 0.0 109.824 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.2 t -55.78 -41.45 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.071 -1.018 . . . . 0.0 109.189 178.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.47 -55.98 11.43 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.325 -0.86 . . . . 0.0 109.661 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -27.84 69.6 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.389 -0.82 . . . . 0.0 111.303 -179.303 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -85.79 6.21 29.02 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.715 -1.241 . . . . 0.0 110.547 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -132.26 3.19 3.95 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.065 -1.022 . . . . 0.0 111.228 -179.612 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.33 -0.856 . . . . 0.0 110.053 -179.669 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 CA--C 1.537 0.672 0 N-CA-C 110.845 -0.483 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt -49.83 -41.7 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.309 -0.87 . . . . 0.0 109.749 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -60.78 2.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.512 -0.742 . . . . 0.0 109.327 179.197 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.401 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 6.8 mt-30 -62.93 -33.74 75.99 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.437 -0.789 . . . . 0.0 109.978 179.424 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.426 ' CG2' HD21 ' A' ' 70' ' ' LEU . 85.1 t -57.09 -49.7 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.946 -1.096 . . . . 0.0 108.468 178.732 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -63.71 -41.17 98.14 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.233 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 47.0 mt-10 -58.08 -51.25 70.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.55 -0.719 . . . . 0.0 110.333 179.525 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.2 pt -66.67 -38.65 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.091 -1.006 . . . . 0.0 109.665 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.84 -52.4 52.64 Favored Glycine 0 N--CA 1.499 2.89 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 178.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.4 mt -65.67 -39.99 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.542 -0.975 . . . . 0.0 109.557 179.105 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -68.01 -34.65 76.91 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.15 -0.969 . . . . 0.0 110.392 -179.879 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.95 14.01 23.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.004 -1.06 . . . . 0.0 110.533 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 t30 56.38 40.53 29.7 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.046 -1.034 . . . . 0.0 110.0 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.1 mtt -112.17 131.46 55.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.062 -1.024 . . . . 0.0 109.957 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.25 131.53 46.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.068 -1.02 . . . . 0.0 110.163 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.41 91.11 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.425 -0.797 . . . . 0.0 108.874 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 89.6 m-70 -102.27 99.59 9.69 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.918 -1.113 . . . . 0.0 110.591 -179.019 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.452 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 4.5 m-85 -86.24 104.04 15.42 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.294 -0.879 . . . . 0.0 109.219 179.377 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.97 146.08 46.85 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.921 -1.112 . . . . 0.0 111.236 -179.268 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.3 t -102.26 162.25 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.0 -1.063 . . . . 0.0 108.801 178.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.18 -73.86 0.62 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.922 -1.112 . . . . 0.0 109.459 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 . . . . . 0 N--CA 1.501 2.1 0 CA-C-O 121.433 0.635 . . . . 0.0 109.5 179.911 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.62 0.724 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 3.2 mp -73.54 117.86 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.199 -0.938 . . . . 0.0 109.635 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.501 ' HB ' ' HB3' ' A' ' 65' ' ' ALA . 90.5 m -96.4 128.77 43.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.131 -0.981 . . . . 0.0 109.084 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.55 111.75 24.45 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.113 -0.992 . . . . 0.0 110.485 -179.402 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 65' ' ' ALA . 60.6 m -107.52 116.02 31.19 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.017 -1.052 . . . . 0.0 109.095 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.529 ' CG1' ' HB ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -84.07 126.29 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.913 -1.117 . . . . 0.0 110.617 -179.188 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' SER . 2.2 t -97.56 158.07 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 178.284 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.3 69.48 0.03 OUTLIER Glycine 0 N--CA 1.505 3.271 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' VAL . 1.7 m 164.41 -42.81 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 122.044 -0.68 . . . . 0.0 109.207 -179.611 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -158.17 -152.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.529 ' HB ' ' CG1' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -137.02 150.56 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.436 -1.415 . . . . 0.0 110.361 179.24 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.499 ' OG1' ' HG3' ' A' ' 69' ' ' MET . 6.7 p -117.9 117.34 29.01 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.431 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -88.21 142.02 28.09 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.361 -0.837 . . . . 0.0 110.477 -179.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.56 101.01 0.49 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.49 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 15.3 mt-10 -72.21 79.08 0.97 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.431 -1.04 . . . . 0.0 110.379 -179.6 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.936 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 179.799 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 mttt . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' NZ ' ' CD ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -64.84 -46.85 80.16 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.408 -0.807 . . . . 0.0 109.534 178.902 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -62.92 -44.65 95.5 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.352 -0.842 . . . . 0.0 109.014 179.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.551 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -60.01 -45.07 93.97 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.651 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.01 90.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.466 -0.771 . . . . 0.0 109.54 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.411 ' CD ' ' NZ ' ' A' ' 63' ' ' LYS . 26.9 mt-10 -54.52 -41.02 69.17 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.437 -0.79 . . . . 0.0 109.713 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.49 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -66.89 -57.27 7.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.228 -0.92 . . . . 0.0 108.972 178.857 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.499 ' HG3' ' OG1' ' A' ' 51' ' ' THR . 1.7 mtt -49.11 -50.77 35.59 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.531 -0.731 . . . . 0.0 110.45 179.568 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -65.51 -48.74 71.51 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.151 -0.968 . . . . 0.0 111.483 -179.162 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.479 HG11 ' O ' ' A' ' 68' ' ' LYS . 6.8 p -65.31 -38.4 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.766 -1.209 . . . . 0.0 110.61 -179.068 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.49 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -69.54 -55.72 9.38 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.129 -0.982 . . . . 0.0 109.852 179.888 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.528 ' CD2' HD12 ' A' ' 76' ' ' LEU . 37.6 mt -58.62 -22.17 55.64 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.978 -1.076 . . . . 0.0 110.595 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.546 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -55.31 -35.78 65.5 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 177.842 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 79.8 mttt -156.32 88.82 1.09 Allowed 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.469 0.652 . . . . 0.0 109.568 177.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.528 HD12 ' CD2' ' A' ' 73' ' ' LEU . 5.2 mt . . . . . 0 C--N 1.291 -1.943 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.981 179.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo . . . . . 0 N--CA 1.479 0.669 0 N-CA-C 110.434 -0.641 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.74 -39.09 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.32 -0.863 . . . . 0.0 109.776 179.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -65.33 0.66 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.039 -1.038 . . . . 0.0 109.318 179.298 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -57.47 -33.77 68.33 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.402 -0.811 . . . . 0.0 109.564 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.583 HG13 HG11 ' A' ' 24' ' ' VAL . 55.4 t -65.06 -38.75 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.861 -1.149 . . . . 0.0 108.514 178.251 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.42 ' O ' HG22 ' A' ' 18' ' ' ILE . 4.0 m-70 -68.85 -48.68 62.87 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.526 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 37.4 mt-10 -58.66 -49.04 79.01 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.599 -0.688 . . . . 0.0 109.561 179.157 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.3 mt -70.22 -32.73 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.1 -1.0 . . . . 0.0 108.548 178.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.425 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -51.18 -41.92 47.8 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -88.28 -43.42 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 120.841 -1.387 . . . . 0.0 107.953 178.673 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 5.8 tptt -53.59 -34.21 57.6 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.686 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.485 ' HB3' ' HG3' ' A' ' 22' ' ' MET . 0.0 OUTLIER -104.66 24.59 11.52 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.047 -1.033 . . . . 0.0 110.904 -179.208 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.27 38.03 23.72 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.091 -1.006 . . . . 0.0 110.713 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.485 ' HG3' ' HB3' ' A' ' 20' ' ' ARG . 2.4 mtt -99.71 -35.95 9.64 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.996 -1.065 . . . . 0.0 109.968 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.81 66.33 0.58 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.224 -0.922 . . . . 0.0 109.932 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.583 HG11 HG13 ' A' ' 13' ' ' VAL . 62.6 t -66.19 102.22 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.108 -0.995 . . . . 0.0 109.437 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.534 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 19.3 m-70 -108.27 112.16 24.49 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.245 -0.909 . . . . 0.0 110.14 -179.492 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 44' ' ' CYS . 29.8 m-85 -89.47 137.77 32.03 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.325 -0.859 . . . . 0.0 110.24 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -151.17 124.52 8.87 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.455 -0.778 . . . . 0.0 109.779 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.9 t -90.25 135.21 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.906 -1.121 . . . . 0.0 109.533 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mt -82.71 -36.93 25.4 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.264 -0.897 . . . . 0.0 109.21 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.42 -0.8 . . . . 0.0 109.55 179.674 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 121.192 0.52 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.2 95.87 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.857 -1.152 . . . . 0.0 109.739 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -97.14 123.13 40.81 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.261 -0.899 . . . . 0.0 109.493 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.681 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -102.6 168.38 9.31 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.113 -0.992 . . . . 0.0 109.917 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.644 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -160.21 154.37 23.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.097 -1.002 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.25 132.29 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.097 -1.002 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.486 ' HB ' ' CE ' ' A' ' 69' ' ' MET . 13.1 p -122.21 95.42 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-O 121.998 0.904 . . . . 0.0 109.812 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.17 -100.97 0.69 Allowed Glycine 0 N--CA 1.5 2.912 0 O-C-N 120.767 -1.208 . . . . 0.0 110.306 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.5 t -118.89 24.91 10.57 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.265 -1.138 . . . . 0.0 110.146 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.63 154.46 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.064 -1.022 . . . . 0.0 109.34 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -118.22 145.99 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.136 -0.978 . . . . 0.0 109.001 179.233 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.8 152.71 43.97 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.561 -0.712 . . . . 0.0 109.506 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.681 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 10.8 pt-20 -121.95 165.16 16.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.101 -0.999 . . . . 0.0 110.006 179.847 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.17 109.64 0.72 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 66.25 0.33 Allowed 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 121.833 0.825 . . . . 0.0 109.915 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.805 0 O-C-N 121.099 -1.001 . . . . 0.0 110.659 -179.738 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 mttt . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 1.2 ttmt -66.57 -65.14 0.72 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.48 -0.762 . . . . 0.0 109.926 179.285 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -44.54 -40.81 5.97 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.085 -1.009 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.459 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -69.73 -44.18 70.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.326 -0.859 . . . . 0.0 109.396 179.196 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.21 -54.71 21.93 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.414 -0.804 . . . . 0.0 110.684 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 3.7 mm-40 -51.22 -40.01 57.82 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HZ2' ' CD ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.35 -47.21 86.27 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.235 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.644 ' SD ' ' HB2' ' A' ' 44' ' ' CYS . 48.0 mtp -59.86 -44.25 94.23 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.122 -0.986 . . . . 0.0 109.097 178.548 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.6 mt -58.02 -54.55 45.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.386 -0.821 . . . . 0.0 109.757 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.5 m -58.83 -24.76 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.861 -1.149 . . . . 0.0 109.332 178.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' CD ' ' HZ2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -78.07 -63.62 1.35 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.713 -0.617 . . . . 0.0 109.926 179.31 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 HD23 HG21 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -64.14 -21.37 66.52 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.834 -1.166 . . . . 0.0 110.747 179.912 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.18 17.1 1.73 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.796 -1.19 . . . . 0.0 110.145 179.16 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -13.17 9.97 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.342 -0.849 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.964 -179.7 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo . . . . . 0 CA--C 1.54 0.792 0 N-CA-C 110.443 -0.637 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.624 ' HB ' ' CD2' ' A' ' 14' ' ' HIS . 10.0 mm 60.21 1.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 120.931 -1.105 . . . . 0.0 112.215 178.412 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -35.41 -72.04 0.06 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.003 -1.061 . . . . 0.0 112.24 -179.373 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -40.15 -43.87 1.72 Allowed 'General case' 0 N--CA 1.507 2.409 0 O-C-N 121.267 -0.896 . . . . 0.0 111.631 -178.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.567 ' HB ' HG22 ' A' ' 10' ' ' ILE . 20.8 t -72.78 -39.62 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 120.722 -1.236 . . . . 0.0 109.183 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.624 ' CD2' ' HB ' ' A' ' 10' ' ' ILE . 32.2 m-70 -64.45 -43.29 94.75 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.268 -0.895 . . . . 0.0 108.88 178.692 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 19.2 mt-10 -55.25 -53.74 52.24 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.247 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.423 HD11 HD12 ' A' ' 70' ' ' LEU . 75.2 mt -67.13 -43.54 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.225 -0.922 . . . . 0.0 109.532 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.64 -58.75 11.21 Favored Glycine 0 N--CA 1.501 2.992 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -36.23 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.367 -1.078 . . . . 0.0 109.45 178.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -51.34 -33.28 28.77 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.361 -0.837 . . . . 0.0 109.643 178.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.67 20.84 13.82 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.317 -0.865 . . . . 0.0 110.185 179.734 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 55.67 40.82 30.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.194 -0.941 . . . . 0.0 109.607 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.9 mtp -101.64 141.28 34.74 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.089 -1.007 . . . . 0.0 110.684 -179.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.539 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -76.4 118.84 19.5 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.19 -0.944 . . . . 0.0 109.683 179.613 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -105.78 112.46 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.479 -0.763 . . . . 0.0 109.657 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.564 ' HB2' HG22 ' A' ' 45' ' ' ILE . 14.7 m-70 -128.45 133.59 48.56 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.006 -1.059 . . . . 0.0 110.121 -179.584 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -120.76 140.38 51.77 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.221 -0.924 . . . . 0.0 110.016 -179.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -158.02 165.38 35.24 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.949 -1.095 . . . . 0.0 110.068 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 5.6 t -103.12 154.18 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.896 -1.127 . . . . 0.0 109.468 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.72 -38.61 6.34 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.21 -0.931 . . . . 0.0 109.823 -179.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 . . . . . 0 N--CA 1.495 1.81 0 O-C-N 121.293 -0.879 . . . . 0.0 110.026 -179.755 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 121.544 0.688 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.9 mm -75.05 100.51 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.188 -0.945 . . . . 0.0 108.632 179.327 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 53.6 m -99.14 127.81 45.16 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.237 -0.914 . . . . 0.0 110.003 -179.158 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -108.76 149.89 28.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.434 -0.791 . . . . 0.0 109.531 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.5 p -137.69 155.23 49.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 0.0 110.056 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.564 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.9 tt -133.06 133.58 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.53 -0.731 . . . . 0.0 109.167 179.45 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 23' ' ' THR . 72.2 t -131.07 102.18 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.205 -0.934 . . . . 0.0 109.359 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . 55.92 58.88 11.94 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -179.862 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 t 81.53 -32.36 0.1 Allowed 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.603 -0.94 . . . . 0.0 111.744 179.44 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 6.5 mt -71.54 135.11 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.631 -1.293 . . . . 0.0 109.83 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.503 HG23 HG13 ' A' ' 45' ' ' ILE . 1.6 t -122.34 150.13 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.217 -0.927 . . . . 0.0 109.973 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.502 ' OG1' ' HG3' ' A' ' 69' ' ' MET . 3.3 m -160.41 146.87 15.51 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.333 -0.855 . . . . 0.0 109.354 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -109.26 163.21 13.58 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.115 -0.991 . . . . 0.0 110.861 -179.04 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.547 ' HA3' ' HB1' ' A' ' 65' ' ' ALA . . . -135.84 107.1 0.6 Allowed Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 -179.636 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 17.7 pm0 -70.86 67.57 0.4 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.926 0.87 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.948 0 O-C-N 120.162 -1.586 . . . . 0.0 112.223 -178.658 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.8 mttt . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.581 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 9.3 mmtt -71.53 -63.67 1.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.195 -0.941 . . . . 0.0 108.94 179.095 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -48.58 -38.71 21.44 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.197 -0.939 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.547 ' HB1' ' HA3' ' A' ' 53' ' ' GLY . . . -67.73 -47.74 68.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.059 -1.026 . . . . 0.0 109.642 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.62 -46.54 75.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.443 -0.786 . . . . 0.0 110.636 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 11.9 mm-40 -53.78 -41.92 67.75 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.225 -0.922 . . . . 0.0 109.45 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.431 ' O ' HG11 ' A' ' 71' ' ' VAL . 1.2 mtmt -62.73 -58.0 9.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.612 -0.68 . . . . 0.0 109.362 179.209 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.502 ' HG3' ' OG1' ' A' ' 51' ' ' THR . 3.3 ttm -58.47 -40.27 82.2 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.246 -0.909 . . . . 0.0 110.73 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.463 HD21 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -65.32 -55.21 19.52 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.971 -1.081 . . . . 0.0 110.578 -179.32 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.431 HG11 ' O ' ' A' ' 68' ' ' LYS . 7.7 p -56.98 -32.65 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.141 -0.974 . . . . 0.0 109.978 -179.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.43 -47.2 16.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.76 -1.212 . . . . 0.0 109.547 179.172 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.35 -36.74 76.29 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.096 -1.002 . . . . 0.0 110.307 179.414 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.56 -18.19 57.15 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.22 -0.925 . . . . 0.0 109.897 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.08 -19.76 15.65 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.293 -0.879 . . . . 0.0 109.949 179.767 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 CA--C 1.554 1.122 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.916 -179.567 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HG3' ' HG2' ' A' ' 67' ' ' GLU . 32.6 Cg_endo . . . . . 0 CA--C 1.537 0.65 0 N-CA-C 111.254 -0.326 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 10' ' ' ILE . 49.2 mm -57.04 -52.07 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.069 -1.019 . . . . 0.0 109.614 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -43.36 63.09 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.962 -1.086 . . . . 0.0 109.642 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.92 -44.19 93.66 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.253 -0.905 . . . . 0.0 110.774 -179.606 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 24' ' ' VAL . 2.3 p -61.0 -45.76 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 120.754 -1.216 . . . . 0.0 108.731 179.084 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.492 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 13.6 m-70 -62.47 -40.26 96.08 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.45 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -56.97 15.27 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.571 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.4 mt -53.47 -43.79 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.46 -0.775 . . . . 0.0 109.61 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.59 -46.02 91.32 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 mt -70.17 -43.3 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.612 -0.934 . . . . 0.0 110.117 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -26.01 67.72 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.137 -0.977 . . . . 0.0 110.051 179.688 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 6.5 mmt180 -100.39 -71.03 0.72 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.187 -0.945 . . . . 0.0 110.08 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 168.26 -32.64 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.517 -0.74 . . . . 0.0 110.446 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.465 ' HG3' ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -59.43 124.12 19.01 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.229 -0.919 . . . . 0.0 111.099 -178.868 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.38 129.65 37.71 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.216 -0.928 . . . . 0.0 109.491 179.281 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 13' ' ' VAL . 89.3 t -98.68 114.44 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.403 -0.811 . . . . 0.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.566 ' HB2' HG21 ' A' ' 45' ' ' ILE . 12.1 m-70 -129.83 126.55 38.31 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.073 -1.017 . . . . 0.0 110.401 -179.493 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.612 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 57.7 m-85 -105.37 140.99 37.64 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.439 -0.788 . . . . 0.0 110.025 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -147.61 132.13 17.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.152 -0.968 . . . . 0.0 109.833 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.8 t -95.61 149.45 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.141 -0.974 . . . . 0.0 109.214 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -100.79 -51.5 3.55 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.061 -1.024 . . . . 0.0 110.01 -179.473 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 . . . . . 0 N--CA 1.497 1.879 0 O-C-N 121.298 -0.876 . . . . 0.0 109.983 -179.896 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 121.41 0.624 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 2.1 mp -90.55 92.06 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.119 -0.988 . . . . 0.0 109.926 -179.809 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.1 m -93.51 122.01 35.5 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.223 -0.923 . . . . 0.0 109.664 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -97.31 159.99 14.59 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.257 -0.902 . . . . 0.0 109.491 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.612 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -143.51 147.06 33.92 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.098 -1.001 . . . . 0.0 110.526 -179.731 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 25' ' ' HIS . 16.4 tt -122.75 145.28 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.035 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' CG1' ' O ' ' A' ' 46' ' ' VAL . 13.5 p -140.96 100.99 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 121.855 0.836 . . . . 0.0 109.717 -179.58 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' HA3' ' HG3' ' A' ' 22' ' ' MET . . . 62.86 -99.78 0.29 Allowed Glycine 0 N--CA 1.502 3.037 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.648 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.9 p -117.17 15.49 14.96 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.33 -1.1 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.422 HG22 HD12 ' A' ' 49' ' ' ILE . 48.5 mm -121.51 145.24 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.017 -1.052 . . . . 0.0 109.501 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -132.45 143.67 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.076 -1.015 . . . . 0.0 109.275 179.604 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -145.25 140.49 27.88 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.639 -0.663 . . . . 0.0 110.056 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.553 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.5 pm0 -99.04 144.14 28.52 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.968 -1.082 . . . . 0.0 110.065 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.96 80.58 0.33 Allowed Glycine 0 N--CA 1.497 2.745 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.493 ' HG3' ' NH1' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -65.35 66.99 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 CA-C-O 121.714 0.768 . . . . 0.0 110.864 179.891 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.879 0 O-C-N 120.409 -1.432 . . . . 0.0 110.788 -179.636 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.52 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 19.9 tttm -69.98 -66.23 0.62 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.12 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' NH1' ' HG3' ' A' ' 54' ' ' GLU . 18.1 ttt180 -46.94 -39.2 11.87 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.468 -0.77 . . . . 0.0 109.927 178.625 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.32 -50.33 73.27 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.365 -0.834 . . . . 0.0 109.686 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.37 -48.02 37.54 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.222 -0.923 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.524 ' HG2' ' HG3' ' A' ' 9' ' ' PRO . 3.1 mt-10 -53.56 -41.58 66.65 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.28 -0.888 . . . . 0.0 109.244 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.518 ' HE3' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -62.28 -54.86 34.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.464 -0.772 . . . . 0.0 109.808 179.544 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.5 ' HA ' ' CG ' ' A' ' 72' ' ' GLU . 1.9 ttt -59.21 -39.5 82.88 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.429 -0.794 . . . . 0.0 110.261 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 13' ' ' VAL . 20.0 mt -57.93 -44.16 86.73 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.134 -0.979 . . . . 0.0 110.962 -179.646 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.518 ' CG2' ' HE3' ' A' ' 68' ' ' LYS . 30.6 m -73.33 -41.67 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.762 -1.211 . . . . 0.0 110.97 -179.264 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 69' ' ' MET . 5.5 pt-20 -68.14 -46.16 71.59 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.72 -1.237 . . . . 0.0 109.628 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.32 -36.26 75.31 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.093 -1.004 . . . . 0.0 109.375 178.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -79.65 0.38 30.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.229 -0.919 . . . . 0.0 110.32 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -113.78 -7.4 13.25 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.899 -1.125 . . . . 0.0 111.153 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 N--CA 1.493 1.701 0 O-C-N 120.901 -1.124 . . . . 0.0 110.125 -179.386 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 CA--C 1.542 0.907 0 CA-C-O 120.857 0.274 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mt -136.84 -46.3 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 120.776 -1.203 . . . . 0.0 111.119 -178.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.6 p -44.95 -73.4 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.284 -0.885 . . . . 0.0 111.482 -178.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -30.05 65.97 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.939 -1.101 . . . . 0.0 110.338 -179.266 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.427 ' CG2' HD21 ' A' ' 70' ' ' LEU . 75.4 t -60.75 -41.8 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.62 -1.3 . . . . 0.0 107.817 177.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -65.66 -34.43 78.2 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.599 ' O ' ' HE2' ' A' ' 19' ' ' LYS . 1.9 tm-20 -51.01 -51.12 56.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.614 -0.679 . . . . 0.0 109.217 178.661 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.473 HG21 HD12 ' A' ' 16' ' ' ILE . 14.5 tt -78.88 -38.4 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 120.927 -1.108 . . . . 0.0 110.3 179.493 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.66 -49.37 74.42 Favored Glycine 0 N--CA 1.504 3.231 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.592 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 2.9 mp -81.66 39.99 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.302 -1.116 . . . . 0.0 109.185 179.221 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.599 ' HE2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -144.85 -46.53 0.24 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.455 -1.403 . . . . 0.0 109.808 -179.547 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -98.92 35.15 1.93 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.119 -0.988 . . . . 0.0 110.12 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 50.06 39.73 19.84 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.174 -0.954 . . . . 0.0 109.851 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.465 ' HB3' HG23 ' A' ' 46' ' ' VAL . 15.6 mtt -106.31 108.86 20.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.955 -1.091 . . . . 0.0 110.259 -179.35 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.438 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -70.17 86.85 0.57 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.254 -0.904 . . . . 0.0 109.362 179.524 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG22 ' CG2' ' A' ' 46' ' ' VAL . 93.0 t -79.27 112.35 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.717 -0.614 . . . . 0.0 109.797 -179.53 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.543 ' HB2' HG23 ' A' ' 45' ' ' ILE . 8.5 m-70 -128.85 151.01 50.09 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.944 -1.098 . . . . 0.0 109.881 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' CB ' ' A' ' 44' ' ' CYS . 78.7 m-85 -130.41 135.98 48.58 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.344 -0.847 . . . . 0.0 110.133 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 12.5 tmtt? -154.22 126.71 8.01 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.135 -0.978 . . . . 0.0 110.124 179.777 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.746 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 46.0 t -76.07 135.29 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.97 -1.081 . . . . 0.0 109.439 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.478 HD22 ' HB1' ' A' ' 43' ' ' ALA . 7.5 mt -73.75 -60.97 2.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.02 -1.05 . . . . 0.0 109.603 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.451 0.643 . . . . 0.0 110.39 -179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 121.368 0.604 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.672 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 3.0 mp -77.99 98.11 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.001 -1.062 . . . . 0.0 109.575 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.746 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 57.9 m -102.54 128.16 49.3 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.175 -0.953 . . . . 0.0 109.738 -179.883 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -100.73 149.36 23.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.128 -0.983 . . . . 0.0 109.656 179.479 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.624 ' O ' HG11 ' A' ' 50' ' ' VAL . 31.3 p -132.71 140.81 48.27 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.717 ' HA ' HG13 ' A' ' 50' ' ' VAL . 16.6 tt -126.34 136.6 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-O 121.071 0.462 . . . . 0.0 110.3 -179.26 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.549 ' HB ' ' HE1' ' A' ' 69' ' ' MET . 0.8 OUTLIER -135.56 148.05 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.223 -0.923 . . . . 0.0 109.616 179.78 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . -42.77 126.51 4.74 Favored Glycine 0 N--CA 1.502 3.039 0 O-C-N 121.206 -0.934 . . . . 0.0 110.867 -179.36 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 11.8 p 97.49 -56.21 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 122.811 0.444 . . . . 0.0 111.402 179.599 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.608 ' O ' ' HB ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -163.29 -170.47 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 120.664 -1.273 . . . . 0.0 109.983 -179.425 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.717 HG13 ' HA ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER 172.37 -162.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.161 -0.962 . . . . 0.0 111.474 179.368 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.688 ' OG1' ' HE2' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -168.92 -176.44 2.66 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.455 -0.778 . . . . 0.0 109.737 -179.929 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.7 mp0 -114.53 -176.93 3.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.01 -1.056 . . . . 0.0 110.066 -179.496 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.84 105.24 0.27 Allowed Glycine 0 N--CA 1.497 2.754 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.572 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.672 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 1.3 pm0 -84.13 52.46 2.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.44 -1.035 . . . . 0.0 110.098 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.12 0 O-C-N 121.021 -1.05 . . . . 0.0 110.843 -179.992 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.619 ' HE2' ' OE2' ' A' ' 67' ' ' GLU . 30.3 tttt -57.7 -38.18 74.78 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.348 -0.845 . . . . 0.0 110.289 179.284 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -52.92 27.32 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.921 -1.112 . . . . 0.0 109.494 179.694 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.91 94.4 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 109.255 179.488 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.34 65.86 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.322 -0.861 . . . . 0.0 110.038 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.619 ' OE2' ' HE2' ' A' ' 63' ' ' LYS . 5.2 mt-10 -56.16 -39.28 72.09 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.165 -0.959 . . . . 0.0 109.223 179.111 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.688 ' HE2' ' OG1' ' A' ' 51' ' ' THR . 1.9 tptt -63.45 -43.61 96.9 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.568 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 22.2 ttm -67.67 -50.68 56.54 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.274 -0.891 . . . . 0.0 109.32 178.474 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.427 HD21 ' CG2' ' A' ' 13' ' ' VAL . 90.0 mt -51.18 -49.35 61.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.363 -0.836 . . . . 0.0 110.104 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 68' ' ' LYS . 5.7 p -67.55 -34.75 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.913 -1.117 . . . . 0.0 109.408 179.516 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -48.87 77.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.481 -0.762 . . . . 0.0 109.624 179.368 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.476 HD21 ' HG2' ' A' ' 69' ' ' MET . 1.2 pp -79.56 -28.99 41.17 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.056 -1.028 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -75.27 4.79 6.45 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.748 -1.22 . . . . 0.0 110.381 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.29 -3.47 15.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.887 -1.133 . . . . 0.0 110.589 179.754 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.166 -179.878 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.431 ' O ' ' HB ' ' A' ' 13' ' ' VAL . 33.1 Cg_endo . . . . . 0 CA--C 1.535 0.552 0 N-CA-C 110.619 -0.57 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.68 -42.32 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.396 -0.815 . . . . 0.0 109.01 179.025 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.49 -62.16 1.58 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.323 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.481 ' HA ' ' CD ' ' A' ' 15' ' ' GLU . 24.3 mt-30 -50.6 -40.94 54.02 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.388 -0.82 . . . . 0.0 111.253 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.559 HG22 ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -66.4 -40.31 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 120.539 -1.351 . . . . 0.0 109.128 179.721 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.453 ' O ' ' HB ' ' A' ' 18' ' ' ILE . 10.6 m-70 -73.69 -28.93 61.99 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.76 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.545 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 4.1 mt-10 -55.25 -52.39 63.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.475 -0.765 . . . . 0.0 109.395 178.762 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -100.91 -34.94 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.193 -0.942 . . . . 0.0 110.128 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.544 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -64.33 -36.48 93.25 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 178.929 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.513 HG12 ' HB ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -99.99 -61.5 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.306 -1.114 . . . . 0.0 108.193 178.664 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 4.3 ttmt 35.62 -94.75 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.019 0.438 . . . . 0.0 110.332 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ILE . 2.4 ppt_? -164.43 27.44 0.07 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.109 -0.995 . . . . 0.0 109.709 178.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.14 -3.9 0.42 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.994 -1.066 . . . . 0.0 111.72 -179.348 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 3.1 mmt -133.9 140.48 46.84 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.848 -1.158 . . . . 0.0 109.208 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.411 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -93.26 82.53 4.52 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.865 -1.147 . . . . 0.0 110.904 -178.878 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.544 HG21 ' HA3' ' A' ' 17' ' ' GLY . 41.4 t -94.97 108.07 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.732 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -134.85 145.07 47.95 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.943 -1.098 . . . . 0.0 111.2 -178.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 72.6 m-85 -122.84 112.81 18.33 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -123.84 136.77 54.59 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.399 -0.813 . . . . 0.0 109.886 -179.446 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.445 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 44.1 t -85.47 156.67 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.904 -1.122 . . . . 0.0 109.688 179.564 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.3 mt -99.81 -38.52 8.63 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.016 -1.053 . . . . 0.0 109.587 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.504 -0.748 . . . . 0.0 110.333 -179.794 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' O ' ' C ' ' A' ' 41' ' ' ILE . 24.3 m-85 . . . . . 0 N--CA 1.508 2.449 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.564 ' C ' ' O ' ' A' ' 40' ' ' PHE . 93.7 mt -16.76 107.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.682 0 CA-C-O 121.355 0.598 . . . . 0.0 111.306 179.746 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.427 ' OG1' HG21 ' A' ' 28' ' ' VAL . 1.3 m -95.26 135.92 36.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.506 -0.746 . . . . 0.0 109.082 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -94.2 126.4 39.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.842 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 20.7 p -121.56 147.52 45.7 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.826 -1.172 . . . . 0.0 110.373 -179.615 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.414 ' HB ' HG12 ' A' ' 50' ' ' VAL . 19.2 tt -134.9 145.41 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.511 -0.743 . . . . 0.0 109.868 -179.805 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.539 HG11 HG23 ' A' ' 24' ' ' VAL . 15.6 m -140.9 97.63 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.486 -0.759 . . . . 0.0 109.821 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.411 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 68.55 -95.86 0.4 Allowed Glycine 0 N--CA 1.502 3.041 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -119.38 14.2 12.84 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.4 -1.059 . . . . 0.0 110.841 -179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 98.5 mt -119.87 134.7 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.881 -1.137 . . . . 0.0 109.639 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.414 HG12 ' HB ' ' A' ' 45' ' ' ILE . 0.4 OUTLIER -129.58 143.02 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.148 -0.97 . . . . 0.0 109.486 179.766 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.438 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -152.58 139.26 18.82 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.518 -0.738 . . . . 0.0 109.397 -179.839 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 22.4 mt-10 -115.79 149.9 37.79 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.855 -1.153 . . . . 0.0 110.254 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . 156.75 160.34 10.02 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.564 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 2.8 tt0 173.75 -107.83 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.381 -1.07 . . . . 0.0 109.758 -179.508 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.476 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.907 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.005 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -88.5 -63.21 1.33 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.396 -0.815 . . . . 0.0 109.748 179.267 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HB3' ' HG2' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -51.27 -57.58 8.47 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.619 -0.676 . . . . 0.0 112.153 -178.554 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.81 -38.77 64.89 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.793 -1.192 . . . . 0.0 109.126 -179.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.69 77.07 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.269 -0.894 . . . . 0.0 109.558 178.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -48.74 -48.36 40.77 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.389 -0.819 . . . . 0.0 109.108 179.166 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -63.94 -46.47 84.59 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.712 -0.617 . . . . 0.0 109.96 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.457 ' SD ' HG13 ' A' ' 46' ' ' VAL . 2.7 mmt -62.84 -58.38 7.6 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.005 -1.059 . . . . 0.0 109.663 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.559 ' CD2' HG22 ' A' ' 13' ' ' VAL . 1.8 mm? -47.63 -53.19 15.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.46 -0.775 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.14 -31.18 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.032 -1.042 . . . . 0.0 110.312 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.57 -54.33 9.46 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.117 -0.99 . . . . 0.0 109.99 179.615 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.61 -29.21 66.67 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.002 -1.061 . . . . 0.0 110.985 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -82.7 4.51 24.74 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.98 -1.075 . . . . 0.0 110.754 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.14 -0.84 8.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.971 -1.081 . . . . 0.0 110.907 -179.352 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 N--CA 1.488 1.457 0 O-C-N 121.145 -0.972 . . . . 0.0 110.073 -179.128 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo . . . . . 0 CA--C 1.544 1.006 0 CA-C-O 121.193 0.414 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -138.78 -80.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.906 -1.122 . . . . 0.0 110.125 179.006 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -59.01 4.74 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.032 -1.043 . . . . 0.0 109.41 -179.761 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -46.69 -42.48 16.58 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.501 -0.75 . . . . 0.0 110.058 178.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.59 -46.51 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.145 -0.972 . . . . 0.0 109.027 179.452 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.496 ' O ' HG22 ' A' ' 18' ' ' ILE . 9.4 m-70 -61.19 -45.95 92.48 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.782 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.485 ' O ' HG21 ' A' ' 18' ' ' ILE . 43.5 mt-10 -60.06 -50.99 71.55 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.664 -0.647 . . . . 0.0 109.725 179.22 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.71 -36.48 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.06 -1.025 . . . . 0.0 109.065 179.282 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.04 -42.14 96.81 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.626 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -85.75 -38.11 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 120.912 -1.346 . . . . 0.0 109.134 179.438 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -56.26 -26.31 51.17 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.263 -0.898 . . . . 0.0 110.644 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -109.99 -76.29 0.61 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.168 -0.958 . . . . 0.0 109.62 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 168.4 47.93 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.439 -0.788 . . . . 0.0 109.793 -179.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.51 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 26.7 mtt -131.18 118.68 20.8 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.704 -1.247 . . . . 0.0 111.079 -179.302 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -68.17 106.18 2.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.189 -0.944 . . . . 0.0 108.816 178.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 14' ' ' HIS . 18.4 t -72.9 103.73 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.166 -0.959 . . . . 0.0 109.629 -179.453 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.524 ' HB2' HG21 ' A' ' 45' ' ' ILE . 5.1 m-70 -124.09 112.5 17.2 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.878 -1.139 . . . . 0.0 109.836 -179.289 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.528 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 9.8 m-85 -119.63 119.43 33.73 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.522 -0.736 . . . . 0.0 109.963 -179.158 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.622 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 8.3 tttm -142.1 141.46 32.72 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.767 -1.208 . . . . 0.0 111.269 -179.627 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.653 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.0 t -79.09 140.51 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 O-C-N 121.156 -0.965 . . . . 0.0 110.126 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mt -73.29 -43.15 61.5 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.555 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.345 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' GLY . 64.7 m-85 . . . . . 0 N--CA 1.5 2.037 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.2 mt -140.74 120.46 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.264 -0.897 . . . . 0.0 108.857 179.401 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.653 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 89.0 m -107.32 122.43 46.55 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.208 -0.933 . . . . 0.0 109.55 -179.762 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.4 148.25 24.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.319 -0.863 . . . . 0.0 109.956 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.528 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 1.2 p -138.49 145.73 41.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.371 -0.831 . . . . 0.0 109.362 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.524 HG21 ' HB2' ' A' ' 25' ' ' HIS . 18.6 tt -134.48 148.43 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.146 -0.972 . . . . 0.0 109.995 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' SER . 8.9 m -139.23 158.32 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.534 -0.729 . . . . 0.0 109.202 179.479 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.28 67.79 0.03 OUTLIER Glycine 0 N--CA 1.506 3.302 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.1 t 171.13 -41.17 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.708 -0.877 . . . . 0.0 109.746 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -158.83 -177.71 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.28 -0.887 . . . . 0.0 110.455 -179.597 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.437 HG21 HG13 ' A' ' 45' ' ' ILE . 2.7 t -129.53 157.69 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.159 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.43 ' HB ' ' SG ' ' A' ' 44' ' ' CYS . 1.8 m -150.69 156.04 40.54 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.894 -1.129 . . . . 0.0 110.535 -179.586 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.23 155.59 34.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.059 -1.025 . . . . 0.0 110.182 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.44 110.18 0.87 Allowed Glycine 0 N--CA 1.501 2.979 0 N-CA-C 109.109 -1.597 . . . . 0.0 109.109 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.3 54.93 0.08 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.413 -1.051 . . . . 0.0 112.198 -178.326 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' PHE . . . . . . . . 0 N--CA 1.505 3.236 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 178.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.2 mttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -61.36 1.82 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.431 -0.793 . . . . 0.0 108.998 177.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.52 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 31.1 ttt85 -49.43 -42.79 43.79 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.423 -0.798 . . . . 0.0 110.298 179.578 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.76 73.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 108.534 178.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.406 ' N ' ' HE2' ' A' ' 26' ' ' PHE . . . -75.28 -39.3 59.85 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.427 -0.796 . . . . 0.0 109.906 178.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.52 ' CD ' ' HA ' ' A' ' 64' ' ' ARG . 13.0 mt-10 -48.51 -56.68 7.67 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.61 -50.68 72.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.865 -0.522 . . . . 0.0 109.926 179.006 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -54.48 20.17 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.1 -1.0 . . . . 0.0 110.375 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.8 mt -66.68 -43.41 84.56 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.843 -1.16 . . . . 0.0 110.185 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 50.6 t -63.24 -29.14 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 O-C-N 121.085 -1.009 . . . . 0.0 110.128 179.654 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.446 ' HA ' ' NZ ' ' A' ' 75' ' ' LYS . 15.7 mt-10 -89.16 -42.91 11.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.795 -1.19 . . . . 0.0 109.878 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.0 mt -69.87 -41.71 74.44 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.539 -0.726 . . . . 0.0 110.399 179.501 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -75.21 7.38 3.45 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.861 -1.149 . . . . 0.0 110.212 179.394 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -124.52 5.95 8.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.323 -0.861 . . . . 0.0 109.936 -179.844 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.81 -1.091 . . . . 0.0 110.109 -179.662 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo . . . . . 0 CA--C 1.54 0.81 0 CA-C-O 121.026 0.344 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.467 ' CG2' ' CD2' ' A' ' 14' ' ' HIS . 68.4 mt -137.87 -42.01 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.34 -0.85 . . . . 0.0 110.495 -178.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.43 -64.02 0.77 Allowed 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.275 -0.891 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -55.22 -36.03 65.54 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.351 -0.843 . . . . 0.0 110.471 -179.585 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.97 -43.75 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.581 -1.324 . . . . 0.0 108.491 178.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.467 ' CD2' ' CG2' ' A' ' 10' ' ' ILE . 10.8 m-70 -67.77 -38.71 83.78 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.811 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -66.03 -47.0 75.85 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.123 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.553 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 52.0 mt -58.71 -44.38 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.038 -1.039 . . . . 0.0 109.144 179.131 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.05 -50.83 57.99 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 178.533 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.514 HG23 ' O ' ' A' ' 18' ' ' ILE . 37.5 mm -80.08 64.65 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.234 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -168.07 -38.36 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.283 -0.885 . . . . 0.0 109.728 -179.204 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.574 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.2 tpm_? -109.27 -53.22 2.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.097 -1.002 . . . . 0.0 110.525 179.623 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 163.17 -18.64 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.645 0 O-C-N 121.798 -0.564 . . . . 0.0 111.45 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.49 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 1.1 mtp -75.56 127.64 33.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.758 -1.214 . . . . 0.0 111.655 -178.205 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 1.1 m -78.11 132.93 37.9 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.463 -0.773 . . . . 0.0 109.375 179.07 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 24' ' ' VAL . 14.3 p -87.47 90.57 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.932 -1.105 . . . . 0.0 109.649 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.546 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 17.5 m-70 -108.42 114.21 27.88 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.786 -1.197 . . . . 0.0 110.288 -179.245 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -106.43 147.52 29.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 110.006 179.786 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -158.21 111.31 2.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.227 -0.921 . . . . 0.0 109.578 179.577 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.536 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 47.9 t -56.86 143.81 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 121.086 -1.009 . . . . 0.0 109.621 -179.741 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.491 HD11 ' HG2' ' A' ' 54' ' ' GLU . 12.6 mt -72.13 -50.6 26.67 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.277 -0.89 . . . . 0.0 109.131 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 17.8 ptt-85 . . . . . 0 N--CA 1.498 1.931 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.975 179.209 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.639 ' N ' ' CD1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.076 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.64 ' O ' ' HB ' ' A' ' 42' ' ' THR . 0.9 OUTLIER -151.88 -76.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.868 -1.145 . . . . 0.0 109.947 -179.436 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' A' ' 41' ' ' ILE . 8.9 t 141.27 168.74 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.76 0 CA-C-O 121.751 0.786 . . . . 0.0 109.916 -179.537 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.577 ' HB3' ' HB3' ' A' ' 52' ' ' GLU . . . -107.71 153.14 23.37 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.072 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.566 ' HB3' ' SD ' ' A' ' 69' ' ' MET . 54.1 t -146.74 140.51 25.94 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.914 -1.116 . . . . 0.0 110.375 -179.543 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.546 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -127.75 136.06 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.178 -0.952 . . . . 0.0 109.555 179.491 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.563 HG21 HD22 ' A' ' 73' ' ' LEU . 6.7 m -127.52 107.45 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.467 -0.77 . . . . 0.0 109.806 -179.784 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.92 -104.48 0.67 Allowed Glycine 0 N--CA 1.499 2.873 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 p -113.6 16.19 18.74 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.347 -1.09 . . . . 0.0 110.704 -179.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.0 mt -123.39 134.53 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.913 -1.117 . . . . 0.0 109.825 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.9 t -113.38 152.45 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.074 -1.016 . . . . 0.0 109.21 179.373 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.619 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 3.2 m -159.94 111.35 1.98 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.304 -0.872 . . . . 0.0 109.36 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 2.1 pm0 -123.58 164.19 19.5 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.364 -0.835 . . . . 0.0 110.031 -179.24 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.507 ' O ' ' HB ' ' A' ' 41' ' ' ILE . . . -160.66 168.79 36.22 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.869 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.575 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 3.5 mt-10 -139.08 105.04 5.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.487 -1.008 . . . . 0.0 110.712 179.825 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.487 ' H ' HG12 ' A' ' 41' ' ' ILE . . . . . . . . 0 N--CA 1.498 2.825 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 178.24 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.0 mttm . . . . . 0 N--CA 1.503 2.22 0 CA-C-O 122.964 1.364 . . . . 0.0 107.433 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 0.9 OUTLIER -177.68 -60.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 -179.394 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.638 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -64.08 -39.0 93.09 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.939 178.374 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.593 ' CB ' HG22 ' A' ' 41' ' ' ILE . . . -55.5 -50.83 68.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.385 -0.822 . . . . 0.0 109.363 -179.367 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.38 95.22 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.575 -0.703 . . . . 0.0 110.384 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.638 ' HG3' ' HA ' ' A' ' 64' ' ' ARG . 1.7 mt-10 -52.07 -49.73 62.92 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.299 -0.876 . . . . 0.0 108.993 179.289 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 72' ' ' GLU . 23.7 tttm -61.03 -51.55 68.71 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.546 -0.721 . . . . 0.0 109.294 178.796 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.619 ' SD ' ' HB ' ' A' ' 51' ' ' THR . 3.0 tpt -53.34 -49.44 67.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.355 -0.84 . . . . 0.0 110.447 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.3 mt -69.76 -51.31 35.12 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.011 -1.055 . . . . 0.0 110.57 -179.477 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 68' ' ' LYS . 3.3 p -58.01 -38.32 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.036 -1.04 . . . . 0.0 110.249 -179.661 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -76.72 -45.45 29.32 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.977 -1.077 . . . . 0.0 109.481 179.375 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD22 HG21 ' A' ' 46' ' ' VAL . 21.5 mt -59.67 -30.07 68.5 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.11 -0.994 . . . . 0.0 109.57 179.224 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.57 8.95 17.44 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.213 -0.929 . . . . 0.0 109.845 178.85 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -126.65 -3.52 6.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.05 -1.031 . . . . 0.0 110.978 -179.397 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.409 -0.807 . . . . 0.0 110.431 -179.652 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 CA--C 1.546 1.084 0 CA-C-O 120.706 0.211 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mm -71.66 -61.21 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.7 -1.25 . . . . 0.0 110.412 -179.676 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.7 t -45.21 -60.35 2.16 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.313 -0.867 . . . . 0.0 110.501 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -43.56 34.35 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.292 -0.88 . . . . 0.0 110.802 -179.626 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.63 -44.59 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 120.767 -1.208 . . . . 0.0 108.89 179.29 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -65.87 -43.29 88.81 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.702 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 34.4 mt-10 -58.94 -51.07 71.64 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.424 -0.797 . . . . 0.0 109.436 179.076 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 48.1 mt -65.74 -49.18 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.234 -0.916 . . . . 0.0 109.501 179.822 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.517 ' HA2' ' HG2' ' A' ' 22' ' ' MET . . . -54.69 -46.84 73.66 Favored Glycine 0 N--CA 1.498 2.795 0 N-CA-C 109.816 -1.313 . . . . 0.0 109.816 179.505 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.7 mm -66.38 -43.43 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.663 -0.904 . . . . 0.0 109.686 179.387 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 9.9 tttt -71.17 -26.53 63.02 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.186 -0.946 . . . . 0.0 110.587 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.602 ' O ' ' HB3' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -89.25 -59.54 2.19 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.089 -1.007 . . . . 0.0 109.996 -179.787 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.602 ' HB3' ' O ' ' A' ' 20' ' ' ARG . 44.0 p-10 145.92 -21.31 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.701 0 CA-C-O 121.23 0.538 . . . . 0.0 109.589 -179.452 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.567 ' HB2' HG11 ' A' ' 46' ' ' VAL . 1.4 ptt? -58.15 137.86 56.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.267 -0.896 . . . . 0.0 111.402 -178.614 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.48 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -79.39 103.78 9.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.235 -0.916 . . . . 0.0 109.675 179.49 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 t -76.51 91.72 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.117 -0.989 . . . . 0.0 109.528 179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.564 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 14.3 m-70 -116.35 105.71 12.83 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.07 -1.019 . . . . 0.0 110.377 -179.459 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -90.7 137.97 31.94 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.243 -0.91 . . . . 0.0 109.714 179.503 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -140.97 165.77 26.64 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.146 -0.971 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.2 p -131.55 144.35 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.887 -1.133 . . . . 0.0 109.31 179.652 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 8.3 mt -85.95 -60.17 2.09 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.235 -0.916 . . . . 0.0 108.648 179.67 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 9.0 ttp180 . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.501 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 . . . . . 0 N--CA 1.498 1.964 0 CA-C-O 121.342 0.591 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 mt -88.95 117.91 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.079 -1.013 . . . . 0.0 110.011 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.467 ' HB ' ' HB1' ' A' ' 65' ' ' ALA . 29.8 m -112.1 137.59 49.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.337 -0.852 . . . . 0.0 109.694 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.95 126.91 53.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.182 -0.949 . . . . 0.0 109.586 179.727 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.535 ' HB3' ' HG3' ' A' ' 69' ' ' MET . 46.8 t -114.16 137.1 52.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.069 -1.019 . . . . 0.0 110.08 -179.824 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.564 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -117.42 137.16 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.343 -0.848 . . . . 0.0 109.012 179.238 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 22' ' ' MET . 20.3 t -131.63 107.81 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.385 -0.822 . . . . 0.0 109.69 -179.5 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.72 -94.67 0.09 OUTLIER Glycine 0 N--CA 1.502 3.061 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -126.0 21.15 7.54 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.308 -1.113 . . . . 0.0 110.42 -179.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 mp -127.44 143.58 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.0 -1.063 . . . . 0.0 109.548 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.459 HG21 HG12 ' A' ' 45' ' ' ILE . 1.3 t -122.83 146.61 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.001 -1.062 . . . . 0.0 109.602 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.666 ' HB ' ' HG2' ' A' ' 69' ' ' MET . 23.5 m -140.67 126.05 18.79 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.45 -0.781 . . . . 0.0 109.94 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -95.63 152.51 18.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.332 -0.855 . . . . 0.0 109.802 179.668 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -146.17 122.76 1.71 Allowed Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.239 -1.545 . . . . 0.0 109.239 179.884 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.56 95.32 9.54 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.237 -1.155 . . . . 0.0 109.997 -179.403 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.918 0 N-CA-C 109.779 -1.328 . . . . 0.0 109.779 179.404 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 121.052 0.454 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 16.1 tttm -63.93 -62.28 1.74 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.386 -0.821 . . . . 0.0 110.073 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -55.94 -40.41 73.11 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.43 -0.794 . . . . 0.0 109.942 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.467 ' HB1' ' HB ' ' A' ' 42' ' ' THR . . . -64.33 -43.86 93.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.328 -0.857 . . . . 0.0 109.445 179.625 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.83 -46.77 70.89 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.289 -0.882 . . . . 0.0 110.044 179.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 41.6 mt-10 -55.72 -47.91 76.08 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.301 -0.874 . . . . 0.0 109.532 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -60.95 -38.34 85.54 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.407 -0.808 . . . . 0.0 109.364 178.835 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.666 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -64.22 -42.65 96.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.987 . . . . 0.0 109.597 179.265 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.78 -51.11 68.37 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.095 -1.003 . . . . 0.0 110.55 -179.845 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.37 -40.55 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.014 -1.053 . . . . 0.0 110.233 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -51.11 30.68 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.151 -0.968 . . . . 0.0 109.606 179.426 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 73' ' ' LEU . 1.1 mm? -69.49 -3.08 13.08 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.229 -0.919 . . . . 0.0 110.988 179.8 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -19.84 60.03 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.523 -1.361 . . . . 0.0 109.856 179.746 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -106.25 -29.2 9.95 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.233 -0.917 . . . . 0.0 110.159 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.9 mt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.511 -179.891 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo . . . . . 0 CA--C 1.542 0.902 0 CA-C-O 121.411 0.505 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.55 -47.55 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.112 -0.993 . . . . 0.0 109.559 179.143 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.51 -59.32 3.86 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.246 -0.909 . . . . 0.0 110.017 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -51.37 -37.78 49.86 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.51 -0.744 . . . . 0.0 110.555 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.27 -46.65 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.812 -1.18 . . . . 0.0 108.05 178.61 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.458 ' CG ' HG12 ' A' ' 24' ' ' VAL . 35.6 m-70 -64.55 -40.09 94.94 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.134 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 17.1 mt-10 -59.57 -54.93 40.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.584 -0.697 . . . . 0.0 109.367 179.002 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.1 -38.62 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.277 -0.889 . . . . 0.0 109.558 179.764 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.625 ' HA3' HG22 ' A' ' 24' ' ' VAL . . . -62.06 -58.35 13.13 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.626 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.26 -43.79 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.264 -1.139 . . . . 0.0 108.563 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 18.8 mmtt -56.24 -33.65 65.61 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.37 -0.831 . . . . 0.0 109.709 178.91 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -97.78 22.25 9.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.264 -0.897 . . . . 0.0 110.212 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.8 37.22 27.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.12 -0.987 . . . . 0.0 110.544 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.509 ' HB3' HG11 ' A' ' 46' ' ' VAL . 5.7 mmt -102.68 156.66 17.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.855 -1.153 . . . . 0.0 110.352 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.461 ' OG1' ' HA ' ' A' ' 46' ' ' VAL . 23.0 p -67.51 -55.53 13.17 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.317 -0.864 . . . . 0.0 110.751 -179.483 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.625 HG22 ' HA3' ' A' ' 17' ' ' GLY . 4.3 t 64.2 65.38 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.543 -0.723 . . . . 0.0 109.823 -179.35 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.677 ' HB2' HG23 ' A' ' 45' ' ' ILE . 5.3 m-70 -110.16 101.47 10.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.69 -1.257 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 44' ' ' CYS . 17.0 m-85 -91.69 121.1 33.03 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.553 -0.717 . . . . 0.0 109.164 179.562 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -155.29 148.22 24.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.828 -1.17 . . . . 0.0 111.236 -179.609 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.1 t -96.95 160.64 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.262 -0.898 . . . . 0.0 108.596 178.794 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 mt -98.32 -71.34 0.69 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.889 -1.132 . . . . 0.0 109.61 -179.737 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 121.548 0.69 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.637 HG12 ' HG2' ' A' ' 54' ' ' GLU . 64.7 mt -83.46 105.04 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.079 -1.013 . . . . 0.0 109.683 178.832 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.8 m -93.35 126.65 38.58 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.871 -1.143 . . . . 0.0 109.111 179.328 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -109.17 139.29 44.28 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.081 -1.012 . . . . 0.0 110.933 -179.279 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.483 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . 44.0 t -126.45 127.09 44.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.387 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.677 HG23 ' HB2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -106.11 128.59 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.039 -1.038 . . . . 0.0 110.143 -179.879 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.509 HG11 ' HB3' ' A' ' 22' ' ' MET . 25.2 t -125.61 109.26 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.156 -0.965 . . . . 0.0 109.59 -179.764 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.51 -86.84 0.52 Allowed Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.768 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.3 m -140.17 15.6 2.43 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.354 -1.086 . . . . 0.0 110.593 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.2 mt -133.07 141.17 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.992 -1.068 . . . . 0.0 109.496 179.739 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.586 ' HB ' HG12 ' A' ' 45' ' ' ILE . 1.7 p -115.35 159.05 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.983 -1.073 . . . . 0.0 109.898 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.592 ' OG1' ' HG2' ' A' ' 69' ' ' MET . 54.6 p -133.7 101.79 5.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.607 -0.683 . . . . 0.0 109.606 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 3.4 mp0 -76.62 142.43 40.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.217 -0.927 . . . . 0.0 110.151 -179.821 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.28 93.06 0.4 Allowed Glycine 0 N--CA 1.498 2.832 0 N-CA-C 108.601 -1.8 . . . . 0.0 108.601 179.313 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.637 ' HG2' HG12 ' A' ' 41' ' ' ILE . 4.5 mt-10 -70.26 69.29 0.36 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.84 -0.8 . . . . 0.0 111.126 -178.621 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.909 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 178.965 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt . . . . . 0 N--CA 1.499 2.015 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -56.9 11.13 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 176.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -61.33 -34.63 75.57 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.263 0.554 . . . . 0.0 109.734 178.109 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.04 73.72 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.768 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.79 85.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.556 -0.715 . . . . 0.0 109.184 178.511 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -51.49 -56.53 12.86 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.536 -0.728 . . . . 0.0 109.235 179.103 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.42 -37.66 70.5 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.145 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.592 ' HG2' ' OG1' ' A' ' 51' ' ' THR . 0.4 OUTLIER -66.7 -46.25 76.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.318 -0.864 . . . . 0.0 110.17 179.557 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 45.2 mt -69.33 -48.29 61.88 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.888 -1.133 . . . . 0.0 110.889 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.11 -36.17 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.079 -1.013 . . . . 0.0 110.628 -179.376 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.408 ' OE2' ' NZ ' ' A' ' 75' ' ' LYS . 44.1 mm-40 -86.82 -47.27 9.21 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.004 -1.06 . . . . 0.0 110.009 179.48 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -59.49 -20.84 58.34 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.797 -1.189 . . . . 0.0 110.412 179.798 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -98.29 7.71 45.84 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.066 -1.021 . . . . 0.0 108.99 178.537 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.408 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -116.5 -27.62 6.69 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.489 -0.757 . . . . 0.0 109.599 179.719 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.734 -179.79 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.487 ' HG2' ' HB3' ' A' ' 66' ' ' ALA . 34.2 Cg_endo . . . . . 0 CA--C 1.543 0.929 0 CA-C-O 121.756 0.648 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.552 HD11 ' HD3' ' A' ' 62' ' ' LYS . 26.5 mm -105.8 -63.9 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.431 -0.793 . . . . 0.0 109.405 179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -50.64 -44.89 57.56 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.105 -0.997 . . . . 0.0 109.096 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.69 -38.01 77.3 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.332 -0.855 . . . . 0.0 109.717 178.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 16' ' ' ILE . 3.6 t -63.28 -44.42 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.749 -1.219 . . . . 0.0 107.786 178.088 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -62.27 -42.49 99.39 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.694 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -59.85 4.54 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.128 0.49 . . . . 0.0 110.924 179.068 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.454 HD11 HG21 ' A' ' 16' ' ' ILE . 10.6 tt -53.76 -36.22 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.254 -0.903 . . . . 0.0 110.232 -179.34 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.6 ' CA ' ' HA ' ' A' ' 22' ' ' MET . . . -63.23 -57.62 14.69 Favored Glycine 0 N--CA 1.485 1.901 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.015 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 3.4 mp -73.71 56.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-O 122.383 1.087 . . . . 0.0 108.845 178.836 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -157.12 -50.68 0.07 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.042 -1.036 . . . . 0.0 109.168 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -112.15 -45.56 3.28 Favored 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.82 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.461 ' C ' ' CG ' ' A' ' 22' ' ' MET . 24.5 m120 -147.3 -90.5 0.09 Allowed 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.151 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.6 ' HA ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -176.6 -76.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 0.0 108.906 178.837 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.614 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 12.9 p 41.29 81.79 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 CA-C-O 121.566 0.698 . . . . 0.0 111.315 179.484 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' PHE . 21.7 t -74.6 -20.2 16.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.992 -1.068 . . . . 0.0 108.362 178.365 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.661 ' CD2' ' HG2' ' A' ' 69' ' ' MET . 38.5 m80 64.45 -73.34 0.05 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.386 -0.822 . . . . 0.0 111.426 178.116 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CZ ' HD12 ' A' ' 10' ' ' ILE . 5.4 m-85 -34.91 105.49 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 CA-C-O 121.913 0.863 . . . . 0.0 112.199 -178.816 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -144.63 99.28 3.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.46 -0.775 . . . . 0.0 109.228 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.69 95.23 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.778 -1.201 . . . . 0.0 109.92 -179.74 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -69.53 -32.97 72.12 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.209 -0.932 . . . . 0.0 109.886 179.622 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.832 . . . . 0.0 108.818 179.849 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.5 2.069 0 CA-C-O 121.032 0.444 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mm -77.68 86.09 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.321 -0.862 . . . . 0.0 108.838 179.242 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.9 m -87.59 105.17 17.15 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.676 -1.265 . . . . 0.0 108.912 179.896 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -71.58 153.71 41.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.528 -0.732 . . . . 0.0 109.922 -179.716 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -136.12 109.64 7.97 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.109 -0.994 . . . . 0.0 109.34 179.482 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.509 ' O ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -89.61 126.59 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 120.967 -1.083 . . . . 0.0 111.456 -179.02 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.52 ' CG1' ' HB ' ' A' ' 49' ' ' ILE . 14.5 p -117.06 79.64 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-O 121.978 0.894 . . . . 0.0 109.905 179.306 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.04 -109.82 3.0 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 120.793 -1.192 . . . . 0.0 110.327 179.478 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -97.78 4.65 49.79 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.413 -1.051 . . . . 0.0 110.653 -179.77 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.52 ' HB ' ' CG1' ' A' ' 46' ' ' VAL . 42.1 mm -119.62 153.55 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.968 -1.082 . . . . 0.0 109.24 179.869 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.429 HG11 ' HA ' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -135.99 143.86 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.97 -1.081 . . . . 0.0 109.675 179.961 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.639 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 34.1 m -146.17 132.91 19.98 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.413 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.6 mp0 -80.35 153.67 28.23 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.199 -0.938 . . . . 0.0 111.569 -178.477 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.72 107.84 2.31 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.31 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.448 ' CD ' ' HZ1' ' A' ' 68' ' ' LYS . 6.4 mp0 -83.05 76.74 9.82 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.263 -1.139 . . . . 0.0 110.65 -178.895 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.755 0 C-N-CA 119.838 -1.172 . . . . 0.0 110.222 179.448 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.552 ' HD3' HD11 ' A' ' 10' ' ' ILE . 5.6 ptpt . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 120.664 0.269 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 13.5 mtpp -73.95 -59.38 2.75 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.771 -1.206 . . . . 0.0 109.423 179.339 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -59.79 -40.72 89.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.524 -0.735 . . . . 0.0 109.665 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.43 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -58.84 -45.0 91.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.307 -0.871 . . . . 0.0 109.166 179.153 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.487 ' HB3' ' HG2' ' A' ' 9' ' ' PRO . . . -66.87 -52.54 42.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.377 -0.827 . . . . 0.0 109.815 179.656 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.43 -48.18 65.92 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.471 -0.768 . . . . 0.0 109.435 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 8.7 mtpt -51.44 -51.52 54.16 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.291 -0.881 . . . . 0.0 110.288 179.368 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.661 ' HG2' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -72.96 -56.5 5.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.28 -0.888 . . . . 0.0 110.372 -179.464 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.5 mt -50.92 -46.79 60.9 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.297 -0.877 . . . . 0.0 110.369 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.3 t -60.68 -45.68 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.084 -1.01 . . . . 0.0 109.328 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.19 -54.73 29.09 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.415 -0.803 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pp -73.14 -2.26 20.8 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.991 -1.068 . . . . 0.0 112.052 -179.249 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -12.8 61.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.294 -1.504 . . . . 0.0 110.296 179.499 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -127.97 0.49 5.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.032 -1.042 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 N--CA 1.486 1.351 0 O-C-N 121.253 -0.904 . . . . 0.0 109.938 -179.411 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 36.6 Cg_endo . . . . . 0 CA--C 1.54 0.822 0 N-CA-C 110.857 -0.478 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.7 mt -53.34 -38.13 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.33 -0.856 . . . . 0.0 110.013 179.715 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -62.95 1.31 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.209 -0.932 . . . . 0.0 109.659 179.376 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.481 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -48.57 -42.58 34.1 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.578 -0.701 . . . . 0.0 110.548 179.909 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.436 HG12 HG13 ' A' ' 24' ' ' VAL . 35.4 t -58.6 -50.04 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.047 -1.033 . . . . 0.0 109.367 179.719 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -67.5 -37.14 82.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.819 . . . . 0.0 109.273 179.073 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.573 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 43.3 mt-10 -64.74 -37.86 89.03 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.481 -0.762 . . . . 0.0 110.532 -179.849 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.3 mt -78.69 -42.03 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.871 -1.143 . . . . 0.0 108.845 179.787 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.02 -56.46 14.2 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 178.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.7 mt -80.99 76.62 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.399 -1.059 . . . . 0.0 108.89 178.873 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -169.59 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.867 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -104.76 -57.5 2.02 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.197 -0.939 . . . . 0.0 109.498 178.849 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 9.6 t30 177.42 56.12 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.694 -0.629 . . . . 0.0 109.955 179.487 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 14.4 mtt -152.06 115.54 4.79 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.84 -1.163 . . . . 0.0 110.807 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.79 103.66 11.63 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.05 -1.031 . . . . 0.0 109.284 179.354 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.442 HG11 HG22 ' A' ' 46' ' ' VAL . 59.0 t -86.4 120.04 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.269 -0.894 . . . . 0.0 110.093 -179.532 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.485 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 94.9 m-70 -142.02 113.15 7.53 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.334 -0.854 . . . . 0.0 109.491 179.505 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -79.7 149.69 31.11 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.413 -0.805 . . . . 0.0 110.313 -179.403 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.7 97.25 2.59 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.846 -1.159 . . . . 0.0 110.563 -179.736 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 13.3 p -72.29 127.89 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.037 -1.039 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 6.4 mt -79.87 -38.62 32.33 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.133 -0.979 . . . . 0.0 108.993 179.213 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.507 2.406 0 CA-C-O 121.759 0.79 . . . . 0.0 111.381 179.056 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' A' ' 30' ' ' ARG . 25.8 m-85 . . . . . 0 N--CA 1.502 2.171 0 CA-C-O 121.045 0.45 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -57.04 128.48 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.964 -1.085 . . . . 0.0 109.566 -179.468 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.674 ' C ' ' HB2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -114.97 159.13 21.11 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.249 -0.907 . . . . 0.0 108.814 -179.833 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.54 ' N ' ' HB2' ' A' ' 52' ' ' GLU . . . -143.87 102.03 3.84 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.863 -1.148 . . . . 0.0 110.437 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.66 ' CB ' ' HG3' ' A' ' 52' ' ' GLU . 41.9 t -104.89 151.87 23.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.033 -1.042 . . . . 0.0 109.625 179.749 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.485 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 16.1 tt -114.66 132.2 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.465 -0.772 . . . . 0.0 108.929 178.865 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.442 HG22 HG11 ' A' ' 24' ' ' VAL . 85.0 t -142.27 88.86 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.409 -0.807 . . . . 0.0 109.437 -179.842 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.05 -100.56 0.65 Allowed Glycine 0 N--CA 1.5 2.907 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 p -104.19 -21.81 13.49 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.35 -1.088 . . . . 0.0 110.789 -179.534 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 91.8 mt -93.22 132.45 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.912 -1.118 . . . . 0.0 109.392 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 44' ' ' CYS . 2.0 t -130.86 -172.26 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.284 -0.885 . . . . 0.0 109.153 179.438 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 50' ' ' VAL . 23.7 m 78.29 159.37 0.19 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -178.136 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.674 ' HB2' ' C ' ' A' ' 42' ' ' THR . 1.9 mt-10 -124.59 -57.24 1.56 Allowed 'General case' 0 C--N 1.294 -1.817 0 O-C-N 120.257 -1.527 . . . . 0.0 109.442 -179.046 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.75 -172.97 29.62 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -104.04 84.09 2.19 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.265 -1.138 . . . . 0.0 109.051 179.725 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.564 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.212 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.502 2.125 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -59.0 2.2 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.481 -1.387 . . . . 0.0 111.054 -179.495 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' A' ' 64' ' ' ARG . 4.3 mmt180 -59.76 -39.69 85.65 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.122 -0.986 . . . . 0.0 109.85 -179.763 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 52' ' ' GLU . . . -63.83 -54.31 36.98 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.19 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.47 71.93 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.32 -0.863 . . . . 0.0 109.22 178.649 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 71' ' ' VAL . 14.7 mt-10 -53.71 -42.76 68.39 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.31 0.576 . . . . 0.0 109.804 179.507 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' HG23 ' A' ' 71' ' ' VAL . 16.2 mmtm -73.75 -53.93 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.624 -0.673 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.0 mmt -47.82 -45.96 30.36 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 0.0 110.821 179.811 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.1 -56.52 6.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.864 -1.147 . . . . 0.0 111.124 -179.12 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 67' ' ' GLU . 26.8 m -56.57 -42.43 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.851 -1.156 . . . . 0.0 110.436 -179.431 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -55.83 14.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.002 -1.061 . . . . 0.0 109.707 179.687 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 73' ' ' LEU . 1.6 mm? -58.04 -30.57 66.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.076 -1.015 . . . . 0.0 110.154 179.836 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -52.06 -35.59 47.84 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.167 -0.958 . . . . 0.0 108.697 178.78 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -161.86 79.29 0.55 Allowed 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.636 0.731 . . . . 0.0 109.762 178.32 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 73' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.285 -2.219 0 CA-C-O 117.779 -1.105 . . . . 0.0 110.544 179.715 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo . . . . . 0 N--CA 1.479 0.642 0 N-CA-C 110.387 -0.659 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 mt -54.41 -51.22 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.129 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.2 -46.91 82.46 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.359 -0.838 . . . . 0.0 109.613 178.878 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.67 -44.51 96.37 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.091 -1.006 . . . . 0.0 108.744 179.021 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.3 t -57.82 -42.19 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 177.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -61.99 -49.18 77.1 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.406 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.601 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 2.4 mm-40 -51.78 -38.55 56.0 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.623 -0.673 . . . . 0.0 110.565 179.582 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.2 mt -86.52 -57.78 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.011 -1.055 . . . . 0.0 110.214 -179.313 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.46 -49.23 65.61 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.805 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.0 mt -81.53 56.99 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.248 -1.149 . . . . 0.0 109.273 179.283 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.601 ' NZ ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -155.92 -67.71 0.11 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.844 -1.16 . . . . 0.0 108.996 179.919 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.88 45.31 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.58 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -121.43 -78.42 0.6 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.0 110.082 -179.274 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.494 ' HE2' ' O ' ' A' ' 23' ' ' THR . 3.3 tpt -157.22 155.9 31.63 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.032 -1.042 . . . . 0.0 110.131 -178.299 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.494 ' O ' ' HE2' ' A' ' 22' ' ' MET . 0.2 OUTLIER -62.01 123.61 18.57 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.136 -0.978 . . . . 0.0 110.093 179.514 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -89.08 76.43 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.726 -1.234 . . . . 0.0 111.22 -179.697 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.714 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 88.8 m-70 -81.99 95.72 7.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 109.108 178.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.546 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 16.6 m-85 -97.87 120.71 38.75 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.168 -0.957 . . . . 0.0 109.722 -179.852 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -165.54 138.64 4.39 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.974 -1.079 . . . . 0.0 111.049 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.607 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 97.7 t -82.14 152.87 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.091 -1.006 . . . . 0.0 108.62 178.623 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' HB2' HG21 ' A' ' 41' ' ' ILE . 9.6 mt -93.63 -57.58 2.53 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.892 -1.13 . . . . 0.0 109.406 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 . . . . . 0 N--CA 1.5 2.05 0 O-C-N 121.764 -0.585 . . . . 0.0 110.175 -179.822 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 29' ' ' LEU . 17.2 tt -52.35 117.88 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.348 -0.845 . . . . 0.0 109.529 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 22.5 m -117.03 129.11 55.8 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.08 -1.013 . . . . 0.0 109.88 -179.014 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.747 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . . . -105.08 153.77 21.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.128 -0.983 . . . . 0.0 111.059 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.821 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 57.8 m -142.73 162.54 35.19 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.06 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.817 ' HB ' ' HB ' ' A' ' 50' ' ' VAL . 9.1 mm 63.32 -76.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.023 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' SER . 5.1 t 54.34 -56.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.651 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 177.055 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 45' ' ' ILE . . . -43.45 85.54 0.01 OUTLIER Glycine 0 N--CA 1.514 3.867 0 O-C-N 121.13 -0.981 . . . . 0.0 112.233 -178.126 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.4 m 62.07 5.02 1.32 Allowed 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.415 -1.05 . . . . 0.0 111.33 179.854 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.55 ' C ' HG22 ' A' ' 45' ' ' ILE . 11.3 mt -149.75 160.44 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.975 -1.078 . . . . 0.0 110.226 -179.717 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.817 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 62.0 t 61.44 -114.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.343 -0.848 . . . . 0.0 111.597 179.788 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.63 ' HB ' ' O ' ' A' ' 50' ' ' VAL . 6.4 t 126.6 -154.72 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.239 0 CA-C-N 118.821 0.737 . . . . 0.0 109.269 -179.327 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.747 ' HA ' ' CB ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -74.32 174.72 8.45 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.246 1.022 . . . . 0.0 112.132 -179.357 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.76 136.38 6.17 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 108.27 -1.932 . . . . 0.0 108.27 179.203 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' CD ' HH21 ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.78 80.28 6.19 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.021 -1.282 . . . . 0.0 110.647 -178.87 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.0 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.5 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.887 0 CA-C-O 120.569 0.223 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HE2' ' CG ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -108.31 -56.59 2.23 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.034 -1.041 . . . . 0.0 110.395 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.465 HH21 ' CD ' ' A' ' 54' ' ' GLU . 9.9 ttt180 -53.93 -50.5 66.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.263 -0.898 . . . . 0.0 110.352 -179.496 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -62.67 -49.05 76.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.512 -0.742 . . . . 0.0 109.584 179.736 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.401 ' HA ' ' HG2' ' A' ' 69' ' ' MET . . . -58.53 -51.22 70.79 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.299 -0.876 . . . . 0.0 111.258 -179.477 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' CG ' ' HE2' ' A' ' 63' ' ' LYS . 5.2 mm-40 -51.77 -50.28 60.98 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.176 -0.952 . . . . 0.0 109.778 -179.833 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -53.44 -37.26 62.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.512 -0.743 . . . . 0.0 109.285 179.249 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.821 ' SD ' ' HB2' ' A' ' 44' ' ' CYS . 58.1 mmm -55.85 -50.14 71.41 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.313 -0.867 . . . . 0.0 108.988 178.505 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.8 mt -67.74 -44.7 76.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.499 -0.751 . . . . 0.0 109.316 179.285 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 98.1 t -56.05 -45.54 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.586 -0.696 . . . . 0.0 110.124 179.721 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -55.08 6.41 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.455 -0.778 . . . . 0.0 110.429 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.2 mt -58.71 -30.62 67.56 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.096 -1.003 . . . . 0.0 111.226 -179.214 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -77.88 -6.79 55.44 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.939 -1.101 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.572 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -118.39 -32.65 4.58 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.802 -1.186 . . . . 0.0 111.194 -179.76 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.52 ' O ' ' HE2' ' A' ' 75' ' ' LYS . 2.4 mt . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 117.28 -1.343 . . . . 0.0 112.628 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -138.89 -163.16 1.42 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.763 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -100.0 -61.75 1.33 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.834 -0.541 . . . . 0.0 109.694 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.49 104.82 2.94 Favored Glycine 0 N--CA 1.502 3.082 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.513 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 1.5 p-10 -103.78 -80.43 0.53 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.242 -1.152 . . . . 0.0 110.957 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 12.3 mttt -161.68 -60.21 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.97 -1.081 . . . . 0.0 109.715 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' HE3' ' OE1' ' A' ' 12' ' ' GLN . 9.0 pttt -174.82 -158.14 0.07 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.199 -0.938 . . . . 0.0 109.787 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.2 t -84.41 133.65 44.27 Favored Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 120.739 -1.225 . . . . 0.0 109.627 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -76.74 -36.57 1.52 Allowed 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 122.412 2.075 . . . . 0.0 110.619 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.619 HD12 ' HG2' ' A' ' 62' ' ' LYS . 22.0 mt -46.24 -49.95 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.479 -0.763 . . . . 0.0 110.064 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -56.04 -57.96 9.92 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.305 -0.872 . . . . 0.0 109.578 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.408 ' OE1' ' HE3' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -59.13 -36.41 75.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.19 -0.944 . . . . 0.0 110.697 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 24' ' ' VAL . 25.1 t -60.97 -45.4 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 120.788 -1.195 . . . . 0.0 108.231 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.503 ' HA ' HG23 ' A' ' 24' ' ' VAL . 25.4 m-70 -66.98 -45.54 77.36 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 47.7 mt-10 -55.14 -50.71 68.59 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.623 -0.673 . . . . 0.0 109.485 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.6 mm -71.19 -40.07 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.009 -1.057 . . . . 0.0 109.474 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.62 -42.12 90.31 Favored Glycine 0 N--CA 1.497 2.753 0 N-CA-C 109.351 -1.499 . . . . 0.0 109.351 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.413 HG23 HD13 ' A' ' 18' ' ' ILE . 96.7 mt -78.43 -48.86 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.629 -0.924 . . . . 0.0 109.418 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 5.5 tmtt? -56.26 -32.15 64.25 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.281 -0.887 . . . . 0.0 110.697 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -98.31 -78.02 0.5 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.178 -0.951 . . . . 0.0 109.627 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER 161.97 62.04 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.637 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -136.99 126.61 25.31 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.853 -1.154 . . . . 0.0 110.851 -177.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.436 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -74.3 101.83 4.16 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.34 -0.85 . . . . 0.0 108.744 178.645 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.503 HG23 ' HA ' ' A' ' 14' ' ' HIS . 53.3 t -80.85 106.16 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.251 -0.906 . . . . 0.0 110.111 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.555 ' HB2' HG22 ' A' ' 45' ' ' ILE . 7.5 m-70 -130.7 126.57 36.83 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.097 -1.002 . . . . 0.0 109.955 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.481 ' CE2' HG12 ' A' ' 24' ' ' VAL . 73.1 m-85 -109.95 141.52 42.59 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.198 -0.939 . . . . 0.0 109.276 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -152.81 174.44 14.06 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.116 -0.99 . . . . 0.0 110.486 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' ' HG3' ' A' ' 32' ' ' GLU . 45.2 t -125.08 145.65 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.192 -0.943 . . . . 0.0 108.683 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.24 -24.63 14.78 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.144 -0.973 . . . . 0.0 110.8 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 -138.02 153.09 49.4 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.966 -1.083 . . . . 0.0 110.717 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 56.27 -150.27 0.44 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.903 -0.498 . . . . 0.0 109.959 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.507 ' CG ' ' HA ' ' A' ' 38' ' ' LYS . 1.1 tm-20 65.52 -160.61 0.27 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.008 -1.058 . . . . 0.0 110.792 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' H ' ' CD ' ' A' ' 32' ' ' GLU . . . 122.3 -148.44 17.03 Favored Glycine 0 N--CA 1.499 2.862 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -77.4 -87.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 122.666 2.244 . . . . 0.0 110.592 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.82 79.32 0.46 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.083 -1.011 . . . . 0.0 108.995 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.688 ' O ' " H1'" ' B' ' 3' ' ' ' A' . 0.1 OUTLIER -157.14 -167.44 2.33 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.151 -0.968 . . . . 0.0 110.774 -178.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 38' ' ' LYS . 8.1 mtm -131.87 91.38 2.97 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HA ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -30.03 98.67 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 121.709 0.766 . . . . 0.0 111.17 -178.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.57 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 0.5 OUTLIER -166.9 -153.39 0.15 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.529 -0.732 . . . . 0.0 109.633 -178.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 68.44 -85.14 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.477 -0.764 . . . . 0.0 110.955 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.5 mm -125.19 73.86 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.79 -1.194 . . . . 0.0 109.306 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -87.07 117.02 25.52 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.155 -0.966 . . . . 0.0 109.617 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.97 152.0 25.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.436 -0.79 . . . . 0.0 109.529 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.95 134.16 50.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.157 -0.964 . . . . 0.0 109.413 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.555 HG22 ' HB2' ' A' ' 25' ' ' HIS . 7.9 tt -114.08 142.8 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.087 -1.008 . . . . 0.0 109.113 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.637 HG23 ' HB3' ' A' ' 22' ' ' MET . 4.0 p -137.24 155.2 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -0.839 . . . . 0.0 109.234 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 48' ' ' SER . . . -63.68 63.86 0.04 OUTLIER Glycine 0 N--CA 1.507 3.37 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER 174.08 -39.24 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.626 -0.926 . . . . 0.0 109.714 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.22 -177.88 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.18 -0.95 . . . . 0.0 110.164 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 t -127.02 158.2 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.642 ' CG2' ' HG2' ' A' ' 68' ' ' LYS . 0.8 OUTLIER -140.63 111.54 7.03 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.878 -1.139 . . . . 0.0 111.006 -179.272 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 146.25 27.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.359 -0.838 . . . . 0.0 109.077 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.21 95.66 0.18 Allowed Glycine 0 N--CA 1.497 2.748 0 C-N-CA 119.653 -1.261 . . . . 0.0 110.549 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.92 63.06 0.63 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.548 -0.972 . . . . 0.0 110.078 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.483 ' HA3' ' N ' ' A' ' 61' ' ' SER . . . -70.07 122.32 11.31 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.991 -1.243 . . . . 0.0 109.991 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -117.58 71.98 0.83 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.103 -1.233 . . . . 0.0 109.654 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.32 154.66 7.17 Favored Glycine 0 N--CA 1.5 2.949 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' HE2' ' SD ' ' A' ' 37' ' ' MET . 18.3 mttt -56.19 -15.12 3.32 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.394 -1.062 . . . . 0.0 111.686 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -98.16 -8.41 27.59 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.728 -1.232 . . . . 0.0 110.983 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.506 HG11 ' HB2' ' A' ' 64' ' ' ARG . 1.3 t -126.12 169.39 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.91 -1.119 . . . . 0.0 108.929 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.57 ' HB3' ' HA ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER 77.57 119.82 0.05 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.161 -0.962 . . . . 0.0 108.742 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.619 ' HG2' HD12 ' A' ' 10' ' ' ILE . 2.5 ttpt 83.6 -61.16 0.12 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.537 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 34.3 tttp -72.58 -57.58 4.03 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.506 ' HB2' HG11 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -59.07 -43.76 91.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.688 -0.632 . . . . 0.0 110.18 179.081 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.31 -56.5 15.93 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.556 -0.715 . . . . 0.0 109.864 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.31 91.42 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.315 -0.865 . . . . 0.0 109.899 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.537 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -55.98 -48.12 76.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.449 -0.782 . . . . 0.0 109.338 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.642 ' HG2' ' CG2' ' A' ' 51' ' ' THR . 9.8 tttt -58.76 -45.2 90.27 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.451 ' HE2' ' OG1' ' A' ' 51' ' ' THR . 42.1 tpp -57.1 -38.53 73.53 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.41 HD12 HG23 ' A' ' 13' ' ' VAL . 14.1 mt -69.81 -56.89 5.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.327 -0.858 . . . . 0.0 110.064 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.477 HG11 ' O ' ' A' ' 68' ' ' LYS . 8.9 p -56.9 -30.85 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.173 -0.954 . . . . 0.0 110.526 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.37 -50.17 8.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.766 -1.209 . . . . 0.0 108.987 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.62 -29.14 67.8 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.198 -0.939 . . . . 0.0 110.068 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -9.94 54.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.839 -1.163 . . . . 0.0 109.535 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.1 -31.51 12.44 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.365 -0.835 . . . . 0.0 109.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 118.343 -0.836 . . . . 0.0 109.819 -179.308 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.436 1.805 0 C5'-C4'-C3' 111.091 -2.939 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.437 1.883 0 O4'-C1'-N19 111.406 3.206 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.688 " H1'" ' O ' ' A' ' 36' ' ' HIS . . . . . . . . 0 P--O5' 1.614 2.078 0 C5'-C4'-C3' 111.274 -2.817 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 O4'-C1'-N19 111.004 2.804 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.217 0 C5'-C4'-C3' 111.231 -2.846 . 0.014 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.104 0 C5'-C4'-C3' 111.327 -2.782 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.058 0 C5'-C4'-C3' 111.222 -2.852 . 0.049 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.576 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.999 0 O4'-C1'-N19 111.072 2.872 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.413 " H2'" ' C6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 C5'-C4'-C3' 111.316 -2.79 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.614 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.086 0 C5'-C4'-C3' 111.206 -2.862 . 0.198 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.061 0 C5'-C4'-C3' 111.04 -2.973 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.445 " O2'" " H5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.918 0 C5'-C4'-C3' 111.196 -2.869 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.491 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.994 0 C5'-C4'-C3' 110.918 -3.055 . 0.131 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.853 " O2'" ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C3'-C2'-C1' 104.53 3.366 . 0.12 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.4 ' H3 ' ' HG3' ' A' ' 12' ' ' GLN . . . . . . . . 0 P--O5' 1.613 2.035 0 C5'-C4'-C3' 111.182 -2.879 . 0.209 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.853 ' H5 ' " O2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.61 1.718 0 C5'-C4'-C3' 110.858 -3.095 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.826 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.783 0 O4'-C1'-N19 111.186 2.986 . 0.0 OUTLIER '7D dist 0i' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.826 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.329 0 C5'-C4'-C3' 111.455 -2.696 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.018 0 O4'-C1'-N19 111.096 2.896 . 0.09 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.043 0 C5'-C4'-C3' 111.266 -2.823 . 0.156 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.942 0 C5'-C4'-C3' 111.159 -2.894 . 0.126 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.498 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.004 0 O4'-C1'-N19 111.068 2.868 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.498 ' C8 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.107 0 C5'-C4'-C3' 111.222 -2.852 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 C5'-C4'-C3' 111.361 -2.759 . 0.074 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.406 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.062 0 C5'-C4'-C3' 111.307 -2.795 . 0.125 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.406 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.1 0 C5'-C4'-C3' 111.345 -2.77 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.602 " O2'" " H5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.134 0 O4'-C1'-N19 110.88 2.68 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.602 " H5'" " O2'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.986 0 C5'-C4'-C3' 111.21 -2.86 . 0.097 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.535 " O4'" " H2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.337 0 C3'-C2'-C1' 104.314 3.126 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.472 ' C6 ' " O2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 111.141 2.941 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.71 54.95 0.88 Allowed 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.882 0.848 . . . . 0.0 109.95 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -88.67 35.51 0.78 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.064 -1.023 . . . . 0.0 109.83 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.03 114.61 0.52 Allowed Glycine 0 N--CA 1.497 2.715 0 O-C-N 120.692 -1.255 . . . . 0.0 110.693 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 34.1 t70 -152.58 -82.66 0.09 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.848 -0.795 . . . . 0.0 109.37 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -140.46 130.13 24.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.039 -1.038 . . . . 0.0 109.154 179.639 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -74.09 54.74 0.55 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.988 -1.07 . . . . 0.0 110.285 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.465 ' OG ' ' CE ' ' A' ' 63' ' ' LYS . 3.4 m 172.45 83.86 0.04 OUTLIER Pre-proline 0 N--CA 1.504 2.267 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.486 ' HB2' HD13 ' A' ' 70' ' ' LEU . 33.8 Cg_endo -73.97 52.07 2.54 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.413 2.075 . . . . 0.0 112.177 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.561 ' O ' HG13 ' A' ' 13' ' ' VAL . 49.7 mm -69.8 -52.52 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.011 -1.055 . . . . 0.0 108.693 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -52.57 64.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.05 -1.031 . . . . 0.0 108.726 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -52.51 -43.63 65.21 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.628 -0.67 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -63.25 -40.32 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.636 -1.29 . . . . 0.0 108.735 179.301 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.576 ' HA ' HG12 ' A' ' 24' ' ' VAL . 16.7 m-70 -67.26 -36.31 81.34 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.553 ' HG2' HO2' ' B' ' 15' ' ' ' U' . 33.2 mt-10 -66.29 -60.23 2.97 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.777 -0.577 . . . . 0.0 110.206 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -55.38 -33.34 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.146 -0.972 . . . . 0.0 110.977 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.14 -49.11 42.38 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.94 -37.07 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.61 -0.935 . . . . 0.0 110.626 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -60.84 -19.47 59.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.896 -1.128 . . . . 0.0 110.957 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -117.69 -76.98 0.57 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.096 -1.002 . . . . 0.0 109.799 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 30.7 t-20 171.81 62.13 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.579 -0.7 . . . . 0.0 109.67 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -140.06 117.59 11.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.745 -1.222 . . . . 0.0 110.492 -179.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -66.78 100.7 0.73 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.395 -0.816 . . . . 0.0 109.451 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.668 HG21 ' SD ' ' A' ' 69' ' ' MET . 9.4 p -96.36 110.76 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.393 -0.817 . . . . 0.0 110.114 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.559 ' HB2' HG22 ' A' ' 45' ' ' ILE . 9.9 m-70 -132.21 124.82 29.74 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.729 -1.232 . . . . 0.0 109.912 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.431 ' CE2' HG22 ' A' ' 24' ' ' VAL . 91.1 m-85 -111.32 123.99 51.33 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.27 -0.894 . . . . 0.0 109.521 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HE3' ' O ' ' A' ' 28' ' ' VAL . 6.8 tttp -146.69 132.3 18.81 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.87 -1.144 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 77.4 t -76.06 149.72 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.085 -1.01 . . . . 0.0 109.428 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 mt -98.5 -63.93 1.08 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.339 -0.851 . . . . 0.0 109.569 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.97 146.27 10.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.576 -0.702 . . . . 0.0 110.251 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.758 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 1.3 pm0 -83.95 160.32 21.09 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.6 -0.688 . . . . 0.0 111.035 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.9 65.11 6.89 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.346 -0.846 . . . . 0.0 110.235 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.67 -153.74 25.53 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.62 -19.16 11.57 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.416 2.077 . . . . 0.0 111.622 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' HIS . . . -163.79 179.22 7.25 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.107 -0.996 . . . . 0.0 110.093 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.739 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 84.9 m-70 -31.21 -71.84 0.05 OUTLIER 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.993 -0.442 . . . . 0.0 111.632 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.456 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER 68.26 -67.29 0.2 Allowed 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.024 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 37' ' ' MET . 13.7 mttm -163.11 -65.52 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.839 -0.538 . . . . 0.0 111.874 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -81.55 133.92 35.44 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.191 -0.943 . . . . 0.0 112.526 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.758 ' CE1' ' HB3' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -134.36 114.97 13.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.698 -0.627 . . . . 0.0 110.346 178.83 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.35 101.45 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.343 -0.848 . . . . 0.0 109.712 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 52.4 m -95.9 117.49 30.71 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.131 -0.981 . . . . 0.0 109.22 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.416 ' HA ' ' HG3' ' A' ' 52' ' ' GLU . . . -79.78 143.06 34.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.429 -0.794 . . . . 0.0 109.817 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.645 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 7.4 m -131.67 119.37 21.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.367 -0.833 . . . . 0.0 109.755 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 25' ' ' HIS . 3.3 tt -110.15 133.95 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.984 -1.072 . . . . 0.0 110.159 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.584 HG21 ' HE2' ' A' ' 69' ' ' MET . 0.0 OUTLIER -114.36 -168.8 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.71 93.67 0.12 Allowed Glycine 0 N--CA 1.501 3.018 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m 69.24 27.22 5.21 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.627 -0.925 . . . . 0.0 110.353 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.45 HG23 HD12 ' A' ' 49' ' ' ILE . 94.1 mt -141.86 150.84 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.091 -1.006 . . . . 0.0 109.524 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -130.06 151.44 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.824 -1.173 . . . . 0.0 108.587 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.526 ' CG2' ' HE3' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -165.3 116.98 1.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.235 -0.916 . . . . 0.0 109.931 -179.328 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HG3' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -85.3 160.85 19.74 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.094 -1.004 . . . . 0.0 110.129 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.53 108.31 0.74 Allowed Glycine 0 N--CA 1.499 2.841 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.67 78.83 3.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.629 -0.924 . . . . 0.0 109.927 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.73 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -97.68 174.07 28.92 Favored Glycine 0 N--CA 1.499 2.868 0 O-C-N 120.638 -1.289 . . . . 0.0 111.283 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.5 34.38 0.43 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.51 -0.994 . . . . 0.0 111.296 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.615 ' HA2' ' HB2' ' A' ' 40' ' ' PHE . . . 80.11 -146.39 27.87 Favored Glycine 0 N--CA 1.5 2.911 0 O-C-N 120.691 -1.256 . . . . 0.0 112.156 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 59' ' ' LYS . 1.2 mttt -63.32 76.06 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 122.013 -0.698 . . . . 0.0 111.531 -178.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 59' ' ' LYS . 10.0 ptpt 168.15 -43.09 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.683 -0.636 . . . . 0.0 109.551 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.558 HG11 ' CA ' ' A' ' 55' ' ' GLY . 2.7 t -122.15 -33.98 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.437 -0.789 . . . . 0.0 110.836 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.73 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 75.3 m -53.98 -44.22 70.62 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.668 -1.27 . . . . 0.0 110.625 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.433 ' HE2' HG13 ' A' ' 10' ' ' ILE . 24.6 tttt -73.39 -9.14 58.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.055 -1.028 . . . . 0.0 110.302 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' CE ' ' OG ' ' A' ' 8' ' ' SER . 15.0 mttp -101.57 -68.18 0.83 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.165 -0.959 . . . . 0.0 109.053 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -44.92 -38.32 4.58 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.555 -0.715 . . . . 0.0 110.251 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.645 ' HB3' ' SG ' ' A' ' 44' ' ' CYS . . . -66.2 -45.3 81.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.115 -0.991 . . . . 0.0 109.024 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.92 75.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.359 -0.838 . . . . 0.0 109.37 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.63 -52.62 22.19 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.576 -0.703 . . . . 0.0 109.183 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.526 ' HE3' ' CG2' ' A' ' 51' ' ' THR . 0.8 OUTLIER -55.18 -53.84 50.94 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.707 -0.621 . . . . 0.0 109.721 179.139 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.668 ' SD ' HG21 ' A' ' 24' ' ' VAL . 3.2 ttm -58.0 -37.44 74.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.138 -0.976 . . . . 0.0 110.201 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.486 HD13 ' HB2' ' A' ' 9' ' ' PRO . 13.1 mt -67.1 -49.59 64.45 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.923 -1.111 . . . . 0.0 109.394 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.423 HG11 ' O ' ' A' ' 68' ' ' LYS . 9.8 p -65.17 -35.9 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.045 -1.035 . . . . 0.0 108.994 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.474 ' OE2' ' HD2' ' A' ' 68' ' ' LYS . 2.5 mt-10 -64.74 -47.23 79.01 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.06 -27.22 60.81 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.244 -0.91 . . . . 0.0 111.206 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.35 -10.53 59.75 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.872 -1.142 . . . . 0.0 111.318 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.562 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -117.11 -13.65 10.55 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -0.992 . . . . 0.0 110.877 -179.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.38 -1.295 . . . . 0.0 110.685 -178.623 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.96 0 O4'-C1'-N19 110.942 2.742 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.201 0 O4'-C1'-N19 111.148 2.948 . 0.192 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.433 ' C6 ' ' C5 ' ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.617 2.435 0 O4'-C1'-N19 111.129 2.929 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.556 " H4'" ' CD2' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C1' 1.437 1.952 0 O4'-C1'-N19 111.121 2.921 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.501 " C4'" HO2' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.874 0 C5'-C4'-C3' 111.31 -2.794 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.022 0 C5'-C4'-C3' 110.99 -3.007 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.063 0 O4'-C1'-N19 111.084 2.884 . 0.094 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.442 " H2'" ' C8 ' ' B' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.097 0 C5'-C4'-C3' 111.08 -2.946 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.442 ' C8 ' " H2'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.002 0 O4'-C1'-N19 111.226 3.026 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.55 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.009 0 C5'-C4'-C3' 111.188 -2.875 . 0.354 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.493 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.119 0 O4'-C1'-N19 111.045 2.845 . 0.226 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.674 ' O2 ' " H2'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.939 0 O4'-C1'-N19 111.058 2.858 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.606 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.35 0 O4'-C1'-N19 112.112 3.912 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.606 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 C3'-C2'-C1' 104.805 3.672 . 0.271 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.553 HO2' ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.613 1.964 0 C5'-C4'-C3' 111.282 -2.812 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.415 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.923 0 C5'-C4'-C3' 110.984 -3.011 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.715 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.973 0 C5'-C4'-C3' 110.874 -3.084 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.702 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.047 0 C5'-C4'-C3' 111.32 -2.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.056 0 O4'-C1'-N19 111.209 3.009 . 0.338 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.471 ' C6 ' ' C2 ' ' B' ' 12' ' ' ' C' . . . . . . . . 0 C2'--O2' 1.435 1.67 0 C5'-C4'-C3' 110.969 -3.021 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.465 " H1'" ' H22' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.81 0 C5'-C4'-C3' 111.152 -2.898 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.522 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.018 0 C5'-C4'-C3' 111.205 -2.863 . 0.274 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.522 ' C8 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.05 0 O4'-C1'-N19 110.963 2.763 . 0.02 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C5'-C4'-C3' 111.385 -2.744 . 0.471 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.135 0 C5'-C4'-C3' 111.088 -2.941 . 0.123 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.522 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.881 0 C5'-C4'-C3' 111.137 -2.909 . 0.262 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.212 0 O4'-C1'-N19 111.314 3.114 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.513 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.087 0 O4'-C1'-N19 111.06 2.86 . 0.281 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.08 0 C5'-C4'-C3' 111.268 -2.822 . 0.181 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 O4'-C1'-N19 111.166 2.966 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.07 -77.91 0.18 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -176.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.568 ' HG2' ' HE2' ' A' ' 6' ' ' LYS . 24.3 tt0 -58.96 -66.39 0.51 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.056 -1.028 . . . . 0.0 109.037 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.02 -178.49 37.53 Favored Glycine 0 N--CA 1.499 2.843 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.62 131.04 45.37 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.788 -1.419 . . . . 0.0 110.041 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.568 ' HE2' ' HG2' ' A' ' 3' ' ' GLU . 6.9 mmtt -124.97 -4.35 7.53 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.393 -0.817 . . . . 0.0 110.362 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.587 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 22.7 mtmt -152.03 158.11 42.6 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.265 -0.897 . . . . 0.0 109.362 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.518 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 27.9 p -105.36 95.24 9.44 Favored Pre-proline 0 N--CA 1.5 2.048 0 O-C-N 121.284 -0.885 . . . . 0.0 108.928 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 36.8 Cg_endo -77.59 146.9 24.57 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.487 2.125 . . . . 0.0 111.51 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.2 mm -78.51 -49.39 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.256 -0.903 . . . . 0.0 109.887 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -49.96 28.48 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.127 -0.983 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.569 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -58.67 -44.24 90.13 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.13 -0.982 . . . . 0.0 109.443 179.422 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 16' ' ' ILE . 65.4 t -59.3 -44.16 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -61.67 -38.37 87.5 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -58.33 -61.74 2.36 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.816 -0.553 . . . . 0.0 109.729 178.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.2 pp -58.97 -36.89 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 120.794 -1.191 . . . . 0.0 110.192 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.69 -48.67 79.65 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.453 HD11 HG23 ' A' ' 18' ' ' ILE . 32.9 mm -73.73 -36.88 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.599 -0.942 . . . . 0.0 109.484 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 10.4 mmtp -61.57 -34.91 76.41 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.433 -0.792 . . . . 0.0 110.677 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.638 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -93.66 -72.86 0.59 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.228 -0.92 . . . . 0.0 109.298 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.638 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 37.0 t-20 164.69 64.93 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.17 141.19 46.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.856 -1.152 . . . . 0.0 110.413 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -41.59 97.53 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.677 -0.64 . . . . 0.0 110.439 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 t 64.82 72.86 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 CA-C-O 121.834 0.826 . . . . 0.0 109.433 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.554 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 5.0 m-70 -120.23 117.94 29.17 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.859 -1.151 . . . . 0.0 109.724 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.432 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 22.1 m-85 -92.49 149.04 21.62 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.388 -0.82 . . . . 0.0 109.704 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HE2' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -158.61 118.94 3.25 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.945 -1.097 . . . . 0.0 110.537 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.631 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 78.4 t -76.62 130.73 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.138 -0.976 . . . . 0.0 109.014 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 7.3 mt -72.33 -48.37 42.58 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.349 -0.844 . . . . 0.0 108.885 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 2.1 ptm180 170.11 118.34 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 121.216 0.531 . . . . 0.0 109.603 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 2.6 pt-20 -79.94 -148.23 0.05 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.163 -0.96 . . . . 0.0 108.67 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.55 ' HB3' ' O ' ' A' ' 37' ' ' MET . 10.5 pt-20 -85.62 140.17 30.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.01 -1.681 . . . . 0.0 110.452 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.86 -64.07 1.32 Allowed Glycine 0 N--CA 1.495 2.622 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -82.91 141.24 10.56 Favored 'Trans proline' 0 C--N 1.315 -1.222 0 C-N-CA 121.891 1.727 . . . . 0.0 108.849 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.71 82.79 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.954 -1.091 . . . . 0.0 109.968 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -164.08 -33.23 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.116 -0.99 . . . . 0.0 111.729 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.55 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 5.8 tpt -109.48 75.58 0.95 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.564 -1.335 . . . . 0.0 110.324 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 77.22 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.508 -0.745 . . . . 0.0 111.282 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 37' ' ' MET . 1.0 OUTLIER -131.84 147.56 52.49 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.901 -1.124 . . . . 0.0 109.12 178.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.495 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 64.3 m-85 -133.87 101.07 4.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.704 -1.247 . . . . 0.0 109.975 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.4 mm -89.59 101.8 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.537 -0.727 . . . . 0.0 109.567 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.631 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 78.7 m -110.49 117.25 33.06 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.342 -0.848 . . . . 0.0 109.35 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -99.71 169.1 9.49 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.127 -0.983 . . . . 0.0 110.586 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.1 t -151.63 150.4 30.24 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.454 -0.779 . . . . 0.0 109.635 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.554 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -127.44 139.46 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.132 -0.98 . . . . 0.0 109.761 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.2 m -138.21 106.09 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.328 -0.857 . . . . 0.0 110.1 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.15 -98.62 0.91 Allowed Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.5 p -125.63 12.03 7.96 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.566 -0.961 . . . . 0.0 110.739 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.83 138.95 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.691 -1.256 . . . . 0.0 109.699 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.06 151.61 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.506 -0.746 . . . . 0.0 109.347 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.441 ' OG1' ' HG2' ' A' ' 69' ' ' MET . 40.4 p -140.65 145.72 36.96 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.124 -0.985 . . . . 0.0 110.461 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -103.12 146.05 28.98 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.343 -0.848 . . . . 0.0 109.849 179.428 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.461 ' HA3' ' HB1' ' A' ' 65' ' ' ALA . . . -113.23 115.81 3.77 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.916 -1.273 . . . . 0.0 109.916 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -96.24 74.59 2.94 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 122.248 1.023 . . . . 0.0 110.416 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -98.44 123.09 7.75 Favored Glycine 0 N--CA 1.498 2.77 0 O-C-N 120.37 -1.456 . . . . 0.0 110.366 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -80.74 63.71 5.25 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.961 -1.317 . . . . 0.0 109.365 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.35 154.14 6.2 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.495 ' HE2' ' CZ ' ' A' ' 40' ' ' PHE . 25.3 mmtt -52.2 -54.4 31.44 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.311 -1.111 . . . . 0.0 110.462 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -39.86 84.5 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.96 -1.088 . . . . 0.0 110.963 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.3 t -73.18 -32.85 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 O-C-N 121.01 -1.056 . . . . 0.0 110.836 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 62' ' ' LYS . 91.1 p -54.71 -76.94 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.267 -0.895 . . . . 0.0 111.352 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.427 ' N ' ' OG ' ' A' ' 61' ' ' SER . 42.0 mttt -50.53 -32.12 17.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.258 -0.901 . . . . 0.0 110.239 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -69.05 -66.68 0.55 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.055 -1.028 . . . . 0.0 109.018 178.835 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -49.49 -38.84 31.64 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.438 -0.789 . . . . 0.0 110.087 179.652 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.461 ' HB1' ' HA3' ' A' ' 53' ' ' GLY . . . -64.53 -49.67 70.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.453 -0.779 . . . . 0.0 109.571 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.48 81.1 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.216 -0.927 . . . . 0.0 110.724 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.581 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 2.9 mt-10 -52.15 -54.61 28.57 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.173 -0.955 . . . . 0.0 109.481 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -46.11 66.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.72 -0.613 . . . . 0.0 109.42 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.466 ' O ' HD12 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -61.98 -54.82 36.31 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.407 -0.808 . . . . 0.0 109.418 179.39 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 74' ' ' GLN . 51.4 mt -57.6 -47.08 83.11 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.045 -1.034 . . . . 0.0 110.717 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 56.0 t -51.37 -42.24 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.344 -0.848 . . . . 0.0 110.455 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.466 ' OE2' ' NZ ' ' A' ' 75' ' ' LYS . 14.0 mm-40 -86.5 -49.63 7.44 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.023 -1.048 . . . . 0.0 109.708 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 69' ' ' MET . 9.6 mp -55.76 -29.14 59.11 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.21 -0.931 . . . . 0.0 110.793 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.503 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 14.7 mt-30 -86.72 -15.7 38.69 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.173 -0.955 . . . . 0.0 109.778 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.466 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 15.3 ttpt -98.09 -24.4 15.33 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.311 -0.868 . . . . 0.0 109.862 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.488 1.448 0 O-C-N 121.529 -0.732 . . . . 0.0 110.65 -179.128 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.525 ' N7 ' " H1'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.242 0 O4'-C1'-N19 110.918 2.718 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.525 " H1'" ' N7 ' ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.139 0 C5'-C4'-C3' 111.076 -2.95 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.471 ' H8 ' " O5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.12 0 C5'-C4'-C3' 111.182 -2.879 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.415 " H5'" HO2' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.441 2.249 0 O4'-C1'-N19 111.175 2.975 . 0.252 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.935 0 O4'-C1'-N19 111.02 2.82 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.13 0 C5'-C4'-C3' 111.447 -2.702 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.033 0 O4'-C1'-N19 111.117 2.917 . 0.049 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.569 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.914 0 C5'-C4'-C3' 111.308 -2.795 . 0.276 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.434 " H2'" ' C6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.944 0 C5'-C4'-C3' 111.333 -2.778 . 0.081 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.634 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.123 0 C5'-C4'-C3' 111.227 -2.848 . 0.325 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.937 0 C5'-C4'-C3' 111.303 -2.798 . 0.013 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.461 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.994 0 O4'-C1'-N19 111.227 3.027 . 0.025 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.622 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.136 0 O4'-C1'-N19 110.941 2.741 . 0.025 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.466 " O2'" ' C5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C3'-C2'-C1' 104.488 3.32 . 0.33 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.408 " H2'" " O3'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.849 0 C5'-C4'-C3' 111.124 -2.917 . 0.051 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.466 ' C5 ' " O2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.145 0 C5'-C4'-C3' 111.333 -2.778 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.518 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 C5'-C4'-C3' 111.336 -2.776 . 0.01 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.581 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.248 0 O4'-C1'-N19 110.981 2.781 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.581 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.271 0 C5'-C4'-C3' 111.122 -2.919 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.461 ' N3 ' " H2'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.346 0 C5'-C4'-C3' 111.283 -2.811 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.979 0 C5'-C4'-C3' 111.272 -2.819 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.03 0 O4'-C1'-N19 111.27 3.07 . 0.212 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.088 0 C5'-C4'-C3' 111.295 -2.804 . 0.105 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . 0.42 " H2'" ' C6 ' ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.197 0 O4'-C1'-N19 110.9 2.7 . 0.04 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.42 ' C6 ' " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.215 0 O4'-C1'-N19 111.045 2.845 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.971 0 O4'-C1'-N19 111.037 2.837 . 0.274 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.401 " H2'" ' C6 ' ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.099 0 O4'-C1'-N19 111.092 2.892 . 0.053 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.554 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.103 0 O4'-C1'-N19 111.196 2.996 . 0.318 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.554 ' C6 ' " H2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.019 0 C5'-C4'-C3' 110.821 -3.119 . 0.197 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.48 ' H6 ' " O5'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.059 0 O4'-C1'-N19 111.173 2.973 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.478 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 1.7 mmt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 58.87 57.66 3.53 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.706 0.765 . . . . 0.0 109.455 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' OE2' ' N ' ' A' ' 1' ' ' MET . 4.6 mp0 -68.84 61.49 0.1 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.378 -0.826 . . . . 0.0 111.446 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.63 155.99 7.83 Favored Glycine 0 N--CA 1.5 2.936 0 O-C-N 120.742 -1.224 . . . . 0.0 110.182 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.48 154.66 41.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.216 -1.167 . . . . 0.0 109.131 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -74.57 65.22 1.27 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.782 -1.198 . . . . 0.0 108.512 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 14.9 tptt -46.91 103.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.703 -0.623 . . . . 0.0 111.236 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.562 ' OG ' ' NZ ' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -158.93 78.38 3.04 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.615 -0.678 . . . . 0.0 109.322 179.745 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.651 ' HG3' ' HG3' ' A' ' 67' ' ' GLU . 34.4 Cg_endo -74.17 66.53 5.23 Favored 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 122.322 2.014 . . . . 0.0 110.874 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.3 mt -124.0 -60.21 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.387 -0.821 . . . . 0.0 109.218 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.19 -67.2 0.27 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.545 -0.722 . . . . 0.0 109.947 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.96 -39.61 12.74 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.262 -0.899 . . . . 0.0 110.454 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 16' ' ' ILE . 69.2 t -64.08 -46.3 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.048 -1.032 . . . . 0.0 108.717 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.413 ' HB3' ' C8 ' ' B' ' 17' ' ' ' G' . 9.7 m-70 -64.1 -37.8 88.74 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.531 ' CG ' HO2' ' B' ' 15' ' ' ' U' . 4.6 mt-10 -63.76 -55.49 22.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.705 -0.622 . . . . 0.0 109.613 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.1 pt -65.76 -33.18 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.858 -1.151 . . . . 0.0 109.437 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.501 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -64.84 -54.22 29.57 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 178.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.457 HG13 ' C8 ' ' B' ' 17' ' ' ' G' . 22.5 mm -62.32 -47.69 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.349 -1.089 . . . . 0.0 109.412 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.472 ' HG3' " H1'" ' B' ' 15' ' ' ' U' . 2.5 mmtp -58.66 -36.22 73.81 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.329 -0.857 . . . . 0.0 110.536 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -96.39 18.75 13.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.995 -1.066 . . . . 0.0 110.721 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 55.69 34.83 24.09 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.069 -1.019 . . . . 0.0 110.089 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.501 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 29.2 mtp -105.55 111.6 24.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 0.0 109.609 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -63.04 95.57 0.08 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.354 -0.841 . . . . 0.0 110.392 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.1 t -85.08 108.33 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.287 -0.883 . . . . 0.0 109.177 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.421 ' HB2' HG21 ' A' ' 45' ' ' ILE . 7.9 m-70 -130.06 124.71 33.49 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.999 -1.063 . . . . 0.0 110.33 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.457 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 39.4 m-85 -112.65 125.0 53.81 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.346 -0.846 . . . . 0.0 109.193 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.92 114.21 6.27 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.045 -1.034 . . . . 0.0 110.563 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.728 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 6.6 p -79.21 155.21 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.926 -1.109 . . . . 0.0 109.507 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 29' ' ' LEU . 3.1 mt -71.34 -33.01 69.23 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' HD2' ' SD ' ' A' ' 37' ' ' MET . 2.2 ttp180 71.79 63.15 0.14 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.18 0.991 . . . . 0.0 108.844 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' OE2' ' HB3' ' A' ' 40' ' ' PHE . 2.4 mp0 -67.3 -75.82 0.09 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.731 -0.606 . . . . 0.0 110.425 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -67.48 160.7 27.02 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.369 -0.832 . . . . 0.0 110.325 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.426 ' HA2' ' HG3' ' A' ' 37' ' ' MET . . . -171.47 63.6 0.15 Allowed Glycine 0 N--CA 1.5 2.947 0 O-C-N 121.029 -1.044 . . . . 0.0 111.622 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -78.56 -48.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.316 -1.154 0 C-N-CA 122.402 2.068 . . . . 0.0 110.401 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.12 -66.73 0.51 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.87 164.93 11.33 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.157 -0.964 . . . . 0.0 108.642 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.556 ' SD ' ' HD2' ' A' ' 30' ' ' ARG . 5.1 mtm -143.27 83.71 1.79 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.794 -1.191 . . . . 0.0 110.549 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.491 ' CE ' H5'' ' B' ' 4' ' ' ' C' . 15.9 mtmt -140.37 57.07 1.59 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.892 -1.13 . . . . 0.0 111.359 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -167.49 -172.02 1.83 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.592 -1.317 . . . . 0.0 111.124 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.604 ' CZ ' ' HB2' ' A' ' 32' ' ' GLU . 6.8 m-85 89.58 -161.57 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.446 0 CA-C-O 121.516 0.674 . . . . 0.0 111.962 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 3.2 mt -65.45 91.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.352 -0.842 . . . . 0.0 111.004 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.728 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 1.1 m -77.54 120.03 21.94 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.987 -1.07 . . . . 0.0 108.344 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.45 120.79 34.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 109.223 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.584 ' SG ' ' HG3' ' A' ' 69' ' ' MET . 25.5 p -129.94 153.64 48.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.882 -1.136 . . . . 0.0 110.831 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.421 HG21 ' HB2' ' A' ' 25' ' ' HIS . 19.9 tt -134.79 150.87 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.475 -0.766 . . . . 0.0 109.401 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' THR . 72.5 t -137.59 93.54 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.186 -0.946 . . . . 0.0 109.061 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 -93.24 0.51 Allowed Glycine 0 N--CA 1.499 2.842 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.82 8.36 10.53 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.361 -1.082 . . . . 0.0 110.797 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.8 mt -112.92 137.25 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 120.894 -1.129 . . . . 0.0 109.758 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.81 147.05 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.11 -0.994 . . . . 0.0 109.625 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.8 m -153.5 127.43 8.93 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.307 -0.871 . . . . 0.0 109.396 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' THR . 9.3 pt-20 -126.34 170.1 12.26 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.005 -1.06 . . . . 0.0 109.857 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 54' ' ' GLU . . . 126.59 -79.18 0.37 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.723 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 0.9 OUTLIER 65.08 -85.05 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.706 -0.879 . . . . 0.0 110.141 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.73 -175.8 40.65 Favored Glycine 0 N--CA 1.501 3.012 0 C-N-CA 119.949 -1.12 . . . . 0.0 110.787 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.49 82.62 1.74 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.107 -1.231 . . . . 0.0 109.974 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.9 179.11 47.87 Favored Glycine 0 N--CA 1.498 2.797 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.623 ' HE2' " O2'" ' B' ' 2' ' ' ' G' . 0.0 OUTLIER -81.9 11.8 4.67 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.147 -1.208 . . . . 0.0 111.077 -179.76 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -115.52 17.71 16.24 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.607 -1.308 . . . . 0.0 109.993 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.595 ' O ' ' CB ' ' A' ' 61' ' ' SER . 11.3 m -150.06 -170.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.266 -0.896 . . . . 0.0 109.695 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 7.3 t 100.73 120.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 121.832 0.825 . . . . 0.0 110.462 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 tttm 53.54 45.17 28.74 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 122.38 1.086 . . . . 0.0 108.19 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.629 ' HG3' ' HD2' ' A' ' 9' ' ' PRO . 4.5 ttmt -175.79 -47.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.585 ' CB ' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -60.58 -57.42 12.79 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.035 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.76 92.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.452 -0.78 . . . . 0.0 109.092 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.31 -51.84 68.23 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.364 -0.835 . . . . 0.0 109.595 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.651 ' HG3' ' HG3' ' A' ' 9' ' ' PRO . 1.6 mt-10 -56.17 -42.04 76.41 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.434 -0.791 . . . . 0.0 109.107 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.443 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -65.19 -42.09 93.94 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.576 -0.702 . . . . 0.0 109.241 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.584 ' HG3' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -65.54 -50.81 63.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.174 -0.954 . . . . 0.0 109.693 179.643 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 74' ' ' GLN . 12.6 mt -51.39 -47.88 62.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.342 -0.848 . . . . 0.0 110.298 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 72' ' ' GLU . 8.1 p -69.48 -18.37 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.329 0 O-C-N 120.994 -1.066 . . . . 0.0 110.621 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 2.0 tp10 -91.2 -56.16 3.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.677 -1.264 . . . . 0.0 110.133 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.22 -26.67 68.23 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.083 -1.011 . . . . 0.0 111.075 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 29.7 mt-30 -77.73 8.98 3.8 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.717 -1.24 . . . . 0.0 109.839 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.49 -9.5 15.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.0 110.251 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.222 -179.524 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.434 1.651 0 O4'-C1'-N19 111.429 3.229 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.623 " O2'" ' HE2' ' A' ' 58' ' ' LYS . . . . . . . . 0 P--O5' 1.616 2.29 0 C5'-C4'-C3' 111.012 -2.992 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.577 " O2'" " H5'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.092 0 O4'-C1'-N19 111.159 2.959 . 0.225 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.577 " H5'" " O2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 C5'-C4'-C3' 110.96 -3.026 . 0.163 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.092 0 O4'-C1'-N19 111.079 2.879 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.926 0 O4'-C1'-N19 110.927 2.727 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.924 0 O4'-C1'-N19 111.105 2.905 . 0.305 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.062 0 C5'-C4'-C3' 111.2 -2.867 . 0.333 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.121 0 O4'-C1'-N19 111.169 2.969 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.967 0 C5'-C4'-C3' 111.275 -2.817 . 0.13 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.61 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.097 0 O4'-C1'-N19 111.12 2.92 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.61 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.996 0 O4'-C1'-N19 111.135 2.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.58 " H2'" " O4'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.145 0 O4'-C1'-N19 111.894 3.694 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.635 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C3'-C2'-C1' 104.663 3.515 . 0.192 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.531 HO2' ' CG ' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.612 1.881 0 O4'-C1'-N19 111.45 3.25 . 0.075 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.635 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.079 0 C5'-C4'-C3' 111.164 -2.89 . 0.674 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.757 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.124 0 C5'-C4'-C3' 111.203 -2.864 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.757 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.172 0 O4'-C1'-N19 111.091 2.891 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.082 0 C5'-C4'-C3' 111.084 -2.944 . 0.014 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.905 0 C5'-C4'-C3' 111.382 -2.745 . 0.285 1f . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.914 0 C5'-C4'-C3' 111.288 -2.808 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.984 0 O4'-C1'-N19 111.064 2.864 . 0.245 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.195 0 C5'-C4'-C3' 111.292 -2.805 . 0.087 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.055 0 O4'-C1'-N19 111.094 2.894 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.01 0 C5'-C4'-C3' 111.207 -2.862 . 0.272 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.21 0 C5'-C4'-C3' 111.159 -2.894 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.083 0 C5'-C4'-C3' 111.335 -2.777 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.475 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.21 0 O4'-C1'-N19 111.056 2.856 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.615 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.122 0 C5'-C4'-C3' 110.983 -3.011 . 0.211 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.495 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.538 0 C5'-C4'-C3' 111.377 -2.749 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 51.06 48.66 22.66 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.263 1.03 . . . . 0.0 109.108 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.57 ' HG2' ' HE3' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -77.4 150.96 35.01 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.427 -0.796 . . . . 0.0 110.975 -178.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.73 -150.33 5.06 Favored Glycine 0 N--CA 1.5 2.934 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.414 ' OD2' ' NZ ' ' A' ' 63' ' ' LYS . 3.5 p-10 -74.47 93.91 2.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.723 -1.457 . . . . 0.0 109.495 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.57 ' HE3' ' HG2' ' A' ' 3' ' ' GLU . 15.2 mttt -73.28 60.24 0.59 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.868 -1.145 . . . . 0.0 110.139 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -175.28 111.47 0.12 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.195 -0.94 . . . . 0.0 109.609 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 11' ' ' SER . 0.1 OUTLIER -58.21 115.16 10.39 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.2 -0.938 . . . . 0.0 109.744 -179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -71.32 -60.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 122.287 1.991 . . . . 0.0 111.148 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 mt -55.93 -51.92 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.081 -1.012 . . . . 0.0 109.391 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 1.4 m -54.76 -50.15 69.13 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.192 -0.943 . . . . 0.0 109.706 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -53.78 -46.62 71.08 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.18 -0.95 . . . . 0.0 110.303 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.502 HG21 ' CD1' ' A' ' 70' ' ' LEU . 14.2 t -60.2 -44.47 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.013 -1.054 . . . . 0.0 109.194 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -64.77 -40.96 96.14 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.222 -0.924 . . . . 0.0 108.74 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.651 ' OE1' " H5'" ' B' ' 16' ' ' ' C' . 5.0 mm-40 -62.98 -51.88 65.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.706 -0.621 . . . . 0.0 110.433 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.501 HG12 ' HA ' ' A' ' 13' ' ' VAL . 4.0 pt -58.06 -32.46 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.702 -1.249 . . . . 0.0 110.077 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.478 ' N ' HG13 ' A' ' 16' ' ' ILE . . . -77.82 -44.03 13.22 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.7 mt -72.41 -42.12 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.398 -1.06 . . . . 0.0 110.207 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -56.7 -33.31 66.34 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.246 -0.909 . . . . 0.0 110.469 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 5.5 mtp180 -96.44 -73.64 0.59 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.373 -0.83 . . . . 0.0 109.216 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 20' ' ' ARG . 3.5 p30 167.11 52.31 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.431 -0.793 . . . . 0.0 109.753 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mtt -138.07 125.1 21.38 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.85 -1.156 . . . . 0.0 110.776 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.432 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.84 124.51 23.15 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.261 -0.899 . . . . 0.0 109.386 179.176 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.2 t -106.59 120.59 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.188 -0.945 . . . . 0.0 109.705 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.546 ' HB2' HG22 ' A' ' 45' ' ' ILE . 23.5 m-70 -133.64 125.56 28.97 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.104 -0.998 . . . . 0.0 110.197 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 8.5 m-85 -114.0 146.5 40.07 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.357 -0.839 . . . . 0.0 109.501 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -167.2 146.73 5.26 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.922 -1.111 . . . . 0.0 110.628 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 49.9 t -88.0 151.6 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.125 -0.984 . . . . 0.0 108.907 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mt -99.51 -33.79 10.51 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.007 -1.058 . . . . 0.0 110.222 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.73 105.25 3.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.973 -1.079 . . . . 0.0 111.208 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.509 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 2.0 pt-20 -113.84 -167.31 1.19 Allowed 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.54 ' HB3' ' HB2' ' A' ' 36' ' ' HIS . 1.7 tp10 -72.9 -168.82 0.51 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.876 -1.14 . . . . 0.0 110.112 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.58 -72.62 0.8 Allowed Glycine 0 N--CA 1.501 2.998 0 O-C-N 120.85 -1.156 . . . . 0.0 110.226 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' HIS . 37.0 Cg_endo -80.35 52.05 4.17 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 122.372 2.048 . . . . 0.0 110.465 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 65.99 -64.58 0.2 Allowed 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.361 -0.837 . . . . 0.0 109.921 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 32' ' ' GLU . 1.0 OUTLIER 51.33 63.5 2.22 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.238 -0.914 . . . . 0.0 110.071 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.408 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 2.8 mtt 61.29 84.54 0.13 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.31 -0.869 . . . . 0.0 109.277 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.56 ' O ' ' NZ ' ' A' ' 62' ' ' LYS . 4.9 mtmt -44.78 97.17 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.632 -0.668 . . . . 0.0 111.342 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 56' ' ' ASN . 70.0 m-80 -144.44 -135.39 0.09 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.978 -1.076 . . . . 0.0 109.654 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.509 ' CD2' ' HA ' ' A' ' 31' ' ' GLU . 62.4 m-85 62.97 -151.99 0.34 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.912 -1.117 . . . . 0.0 109.749 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 2.1 mp -57.2 108.29 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 120.772 -1.205 . . . . 0.0 110.363 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 92.4 m -109.34 141.84 41.1 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.338 -0.852 . . . . 0.0 109.206 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -125.11 155.32 40.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.193 -0.942 . . . . 0.0 109.809 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.403 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 1.7 p -147.09 146.86 30.1 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.284 -0.885 . . . . 0.0 110.325 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.546 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.1 tt -127.66 142.61 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.362 -0.837 . . . . 0.0 109.221 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 46' ' ' VAL . 9.9 p -138.19 108.31 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.415 -0.803 . . . . 0.0 109.957 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.2 -92.37 0.05 OUTLIER Glycine 0 N--CA 1.503 3.111 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.1 t -126.76 20.92 7.06 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.336 -1.096 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.432 HD11 HG22 ' A' ' 49' ' ' ILE . 96.7 mt -126.05 129.37 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.999 -1.063 . . . . 0.0 109.708 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.546 HG23 HG13 ' A' ' 45' ' ' ILE . 1.7 t -113.17 150.98 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.059 -1.026 . . . . 0.0 108.757 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 m -150.59 162.8 39.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.967 -1.083 . . . . 0.0 110.529 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -120.71 169.62 10.22 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.695 0.759 . . . . 0.0 110.788 -179.183 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.13 97.13 0.13 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -72.13 77.37 0.96 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.449 -1.03 . . . . 0.0 108.898 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.697 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -85.66 131.11 10.27 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' O ' HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -72.04 -160.84 0.07 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.348 -1.089 . . . . 0.0 110.206 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.7 -153.57 1.59 Allowed Glycine 0 N--CA 1.5 2.937 0 O-C-N 120.974 -1.079 . . . . 0.0 110.631 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 86.8 mttt 61.55 9.85 2.95 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.292 -1.122 . . . . 0.0 111.118 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.5 mtmp? 73.18 7.64 5.3 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.354 -0.841 . . . . 0.0 110.703 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.433 HG11 ' O ' ' A' ' 56' ' ' ASN . 9.7 p -56.54 -42.16 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 O-C-N 121.186 -0.946 . . . . 0.0 110.519 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.697 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -48.89 -41.27 32.86 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.726 -0.609 . . . . 0.0 111.549 -179.175 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.576 ' NZ ' ' OG ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -69.71 -17.42 63.46 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.893 -1.13 . . . . 0.0 110.61 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 1.3 mptt -98.36 -64.62 1.02 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.083 -1.011 . . . . 0.0 109.472 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 -51.58 -39.2 57.45 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.457 -0.777 . . . . 0.0 111.278 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.01 68.49 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.812 -1.18 . . . . 0.0 108.859 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.53 87.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.439 -0.788 . . . . 0.0 109.544 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -55.88 -52.87 62.56 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.285 -0.884 . . . . 0.0 109.577 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 14.8 ttmt -55.48 -46.77 76.84 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.426 -0.796 . . . . 0.0 110.104 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.1 ttt -67.41 -47.05 71.41 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.086 -1.009 . . . . 0.0 110.541 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.502 ' CD1' HG21 ' A' ' 13' ' ' VAL . 39.7 mt -63.26 -38.6 91.8 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.062 -1.024 . . . . 0.0 109.839 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.73 -48.36 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.108 -0.995 . . . . 0.0 109.172 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' NZ ' ' A' ' 75' ' ' LYS . 47.8 mm-40 -70.89 -48.34 54.26 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.285 -0.884 . . . . 0.0 109.658 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.403 ' HA ' HD21 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -58.01 -37.16 73.8 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.062 -1.024 . . . . 0.0 110.435 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -68.65 -7.01 29.27 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.167 -0.958 . . . . 0.0 109.714 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' NZ ' ' OE1' ' A' ' 72' ' ' GLU . 12.7 ttmt -91.9 -9.52 42.92 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.411 -0.806 . . . . 0.0 109.783 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.287 -0.883 . . . . 0.0 110.932 -179.066 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.906 0 C5'-C4'-C3' 111.077 -2.948 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.024 0 C5'-C4'-C3' 111.242 -2.838 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.423 ' N1 ' ' N3 ' ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.091 0 C5'-C4'-C3' 111.254 -2.831 . 0.234 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.344 0 O4'-C1'-N19 111.446 3.246 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.153 0 O4'-C1'-N19 110.957 2.757 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.163 0 O4'-C1'-N19 110.972 2.772 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.481 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.941 0 O4'-C1'-N19 111.121 2.921 . 0.192 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.481 ' C6 ' " H2'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.116 0 C5'-C4'-C3' 111.274 -2.817 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.05 0 C5'-C4'-C3' 111.214 -2.857 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.973 0 C5'-C4'-C3' 111.069 -2.954 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.689 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.095 0 C5'-C4'-C3' 111.355 -2.763 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.689 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.871 0 O4'-C1'-N19 111.12 2.92 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.707 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.044 0 O4'-C1'-N19 111.869 3.669 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.707 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C3'-C2'-C1' 104.489 3.321 . 0.375 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.469 HO2' ' CD ' ' A' ' 15' ' ' GLU . . . . . . . . 0 O4'--C1' 1.439 2.067 0 C5'-C4'-C3' 111.684 -2.544 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.651 " H5'" ' OE1' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.612 1.93 0 C5'-C4'-C3' 111.141 -2.906 . 0.044 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.972 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 O4'-C1'-N19 111.232 3.032 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.972 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.227 0 C5'-C4'-C3' 111.312 -2.792 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.9 0 C5'-C4'-C3' 111.115 -2.923 . 0.155 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.172 0 C5'-C4'-C3' 110.993 -3.005 . 0.026 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.573 ' H8 ' " O5'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.094 0 C5'-C4'-C3' 111.11 -2.927 . 0.015 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.962 0 C5'-C4'-C3' 111.104 -2.931 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.018 0 O4'-C1'-N19 111.066 2.866 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.151 0 O4'-C1'-N19 111.198 2.998 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.401 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.062 0 O4'-C1'-N19 111.149 2.949 . 0.46 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.401 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.056 0 O4'-C1'-N19 111.007 2.807 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.535 HO2' " H5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 O4'-C1'-N19 111.278 3.078 . 0.031 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.535 " H5'" HO2' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.076 0 C5'-C4'-C3' 111.198 -2.868 . 0.139 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.079 0 O4'-C1'-N19 111.146 2.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 O4'-C1'-N19 111.046 2.846 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.405 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 10.9 mtt . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.1 -52.44 2.76 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.405 ' OE2' ' N ' ' A' ' 1' ' ' MET . 3.5 mp0 58.05 -166.52 0.15 Allowed 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.647 0.737 . . . . 0.0 111.148 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.17 166.62 17.59 Favored Glycine 0 N--CA 1.5 2.961 0 O-C-N 120.626 -1.297 . . . . 0.0 110.185 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 63' ' ' LYS . 29.1 t0 -53.25 116.81 2.61 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.516 -0.991 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -161.55 58.47 0.27 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.23 -0.919 . . . . 0.0 110.233 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -58.22 -63.39 1.28 Allowed 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.047 -1.033 . . . . 0.0 110.348 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.88 111.34 63.07 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 120.977 -1.077 . . . . 0.0 109.723 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HB2' ' HB2' ' A' ' 12' ' ' GLN . 35.6 Cg_endo -77.02 98.15 1.2 Allowed 'Trans proline' 0 C--N 1.314 -1.255 0 C-N-CA 122.681 2.254 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.511 ' O ' HG11 ' A' ' 13' ' ' VAL . 95.4 mt -53.68 -51.71 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.209 -0.932 . . . . 0.0 110.352 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -39.84 65.63 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.922 -1.111 . . . . 0.0 109.968 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.651 ' HA ' ' HG2' ' A' ' 15' ' ' GLU . 4.6 mt-30 -64.5 -50.16 68.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.514 -0.741 . . . . 0.0 109.778 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.511 HG11 ' O ' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -59.24 -39.44 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.54 -1.35 . . . . 0.0 108.557 178.857 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.405 ' ND1' ' N7 ' ' B' ' 17' ' ' ' G' . 6.8 m-70 -63.41 -52.83 59.92 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.651 ' HG2' ' HA ' ' A' ' 12' ' ' GLN . 3.6 pt-20 -61.06 -40.83 95.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.359 -0.838 . . . . 0.0 110.162 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.646 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 34.0 mm -68.41 -47.98 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 120.915 -1.115 . . . . 0.0 109.709 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.438 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -61.59 -51.95 54.23 Favored Glycine 0 N--CA 1.499 2.892 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 18' ' ' ILE . 41.8 mm -59.72 -47.7 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.392 -1.063 . . . . 0.0 109.446 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.639 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -55.77 -37.94 69.22 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.191 -0.943 . . . . 0.0 109.754 179.235 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -84.49 20.8 1.61 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.247 -0.908 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.78 29.94 16.71 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.96 -1.087 . . . . 0.0 110.516 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.1 mtm -113.71 126.48 55.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.885 -1.134 . . . . 0.0 109.751 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.84 122.43 17.31 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.13 -0.981 . . . . 0.0 109.669 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' CG2' ' HA3' ' A' ' 17' ' ' GLY . 20.4 t -115.05 107.1 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.244 -0.91 . . . . 0.0 109.644 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.514 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 84.3 m-70 -122.23 132.47 54.45 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.16 -0.962 . . . . 0.0 109.704 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -128.25 91.26 3.22 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.29 -0.881 . . . . 0.0 110.007 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 1.4 ttpt -120.44 120.99 37.51 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.157 -0.964 . . . . 0.0 110.366 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.499 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.4 p -70.32 154.34 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 120.869 -1.144 . . . . 0.0 109.929 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.472 HD21 ' HB3' ' A' ' 43' ' ' ALA . 13.4 mt -91.22 -64.4 1.13 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.971 -1.081 . . . . 0.0 109.31 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.72 -172.85 0.23 Allowed 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.228 0.537 . . . . 0.0 109.924 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -82.64 160.24 22.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.363 -0.836 . . . . 0.0 110.442 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.476 ' HB2' ' CB ' ' A' ' 39' ' ' ASN . 15.4 mt-10 -98.09 54.63 1.12 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.113 -0.992 . . . . 0.0 109.717 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.09 173.23 14.02 Favored Glycine 0 N--CA 1.5 2.952 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -74.16 -84.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.249 1.966 . . . . 0.0 112.259 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.72 -41.1 3.09 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.562 -1.336 . . . . 0.0 111.362 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.46 ' O ' ' ND1' ' A' ' 36' ' ' HIS . 17.1 p80 -72.22 56.93 0.35 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.975 -1.078 . . . . 0.0 111.094 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -179.27 -55.05 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.973 -1.079 . . . . 0.0 110.31 179.43 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.516 ' HE2' " O4'" ' B' ' 3' ' ' ' A' . 1.5 tttt 49.57 29.07 2.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.584 -0.698 . . . . 0.0 111.874 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.476 ' CB ' ' HB2' ' A' ' 32' ' ' GLU . 1.1 t30 -92.14 161.4 14.76 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.892 -1.13 . . . . 0.0 108.881 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -144.48 117.54 8.88 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.014 -1.054 . . . . 0.0 110.872 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.483 HD12 HG22 ' A' ' 41' ' ' ILE . 16.2 mm -85.85 124.0 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.008 -1.058 . . . . 0.0 109.256 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 34.4 m -100.62 146.24 27.39 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.21 -0.931 . . . . 0.0 109.396 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.789 ' HA ' ' HA ' ' A' ' 51' ' ' THR . . . -118.35 121.44 40.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.835 -1.166 . . . . 0.0 109.779 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 6.5 p -134.83 152.2 51.56 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.961 -1.087 . . . . 0.0 109.094 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.42 ' C ' ' HE3' ' A' ' 69' ' ' MET . 0.0 OUTLIER -133.06 136.24 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.127 -0.983 . . . . 0.0 109.756 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.421 HG11 ' HE2' ' A' ' 69' ' ' MET . 4.8 p -168.88 131.64 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.687 -0.633 . . . . 0.0 109.637 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.31 -101.34 0.08 OUTLIER Glycine 0 N--CA 1.5 2.932 0 N-CA-C 110.241 -1.143 . . . . 0.0 110.241 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 t -120.82 14.97 11.73 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.374 -1.074 . . . . 0.0 110.82 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.581 HD13 ' HG3' ' A' ' 72' ' ' GLU . 41.8 mm -108.52 144.85 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 120.928 -1.107 . . . . 0.0 110.236 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 51' ' ' THR . 45.4 t -134.37 163.39 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.789 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 39.8 p 28.17 -94.53 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 mm-40 44.32 20.61 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 177.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 42' ' ' THR . . . -86.88 84.54 1.56 Allowed Glycine 0 N--CA 1.499 2.887 0 O-C-N 120.504 -1.372 . . . . 0.0 110.885 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -87.88 74.12 9.07 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.165 -1.197 . . . . 0.0 110.206 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.696 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -82.61 124.62 6.58 Favored Glycine 0 N--CA 1.501 3.001 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.441 ' HA ' ' OD1' ' A' ' 39' ' ' ASN . 11.8 m-80 -91.8 24.21 3.27 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.102 -1.234 . . . . 0.0 111.185 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 59' ' ' LYS . . . 66.11 -48.3 0.18 Allowed Glycine 0 N--CA 1.506 3.356 0 O-C-N 120.841 -1.162 . . . . 0.0 111.814 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 mtpt -53.33 82.05 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.438 -1.036 . . . . 0.0 111.972 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 55.36 21.39 4.18 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.368 -0.832 . . . . 0.0 111.437 178.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.495 ' CG2' ' HB2' ' A' ' 64' ' ' ARG . 7.5 p -147.2 158.97 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.764 -1.21 . . . . 0.0 111.266 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.696 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 1.9 m 170.92 -86.91 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.457 ' NZ ' " O2'" ' B' ' 19' ' ' ' G' . 0.2 OUTLIER -58.02 -45.76 86.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.216 -0.928 . . . . 0.0 108.822 178.539 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 70.6 mttt -50.98 -61.84 1.98 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.718 -0.614 . . . . 0.0 109.793 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.495 ' HB2' ' CG2' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -47.74 -47.48 30.24 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.625 -0.672 . . . . 0.0 110.49 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.88 83.61 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.184 -0.947 . . . . 0.0 109.144 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.2 85.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.338 -0.851 . . . . 0.0 110.255 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.41 -42.88 70.97 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.206 -0.934 . . . . 0.0 109.442 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 71' ' ' VAL . 12.3 ttmt -63.46 -40.28 96.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.439 -0.788 . . . . 0.0 109.325 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.423 ' HE2' ' HB ' ' A' ' 49' ' ' ILE . 5.9 mtt -68.21 -43.39 78.15 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.219 -0.926 . . . . 0.0 109.876 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 32.3 mt -59.92 -52.39 65.6 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.156 -0.965 . . . . 0.0 110.361 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 68' ' ' LYS . 12.1 p -56.68 -34.56 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.053 -1.029 . . . . 0.0 109.747 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.581 ' HG3' HD13 ' A' ' 49' ' ' ILE . 2.9 tm-20 -73.09 -57.82 3.75 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.233 -0.917 . . . . 0.0 109.329 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.6 mt -56.22 -28.44 58.36 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.282 -0.886 . . . . 0.0 110.308 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -87.43 9.96 19.06 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.088 -1.007 . . . . 0.0 109.681 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -115.49 -15.9 11.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.269 -0.895 . . . . 0.0 110.685 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.307 -179.649 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.43 ' N7 ' " H1'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.923 0 O4'-C1'-N19 111.287 3.087 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.43 " H1'" ' N7 ' ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 110.979 2.779 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.516 " O4'" ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.615 2.212 0 C5'-C4'-C3' 111.241 -2.839 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.49 " O4'" " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.962 0 C5'-C4'-C3' 111.197 -2.868 . 0.02 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.02 0 O4'-C1'-N19 110.987 2.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . 0.415 " H2'" ' C6 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.05 0 O4'-C1'-N19 110.932 2.732 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.421 ' H6 ' " O5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.195 0 O4'-C1'-N19 111.105 2.905 . 0.143 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.419 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.987 0 C5'-C4'-C3' 111.409 -2.728 . 0.14 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.415 ' C8 ' " H2'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.121 0 C5'-C4'-C3' 111.388 -2.741 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.049 0 C5'-C4'-C3' 111.337 -2.776 . 0.361 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.549 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.079 0 C5'-C4'-C3' 111.27 -2.82 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.623 ' O2 ' " H2'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.803 0 O4'-C1'-N19 110.983 2.783 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.013 0 O4'-C1'-N19 111.859 3.659 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C3'-C2'-C1' 104.923 3.803 . 0.075 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.514 ' H6 ' ' OP1' ' B' ' 15' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.117 0 O4'-C1'-N19 111.272 3.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.129 0 O4'-C1'-N19 111.257 3.057 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.698 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.078 0 O4'-C1'-N19 110.946 2.746 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.004 0 C5'-C4'-C3' 111.151 -2.899 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.457 " O2'" ' NZ ' ' A' ' 62' ' ' LYS . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 C5'-C4'-C3' 110.65 -3.233 . 0.153 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.414 ' N2 ' " H1'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.968 0 C5'-C4'-C3' 111.005 -2.996 . 0.113 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.092 0 C5'-C4'-C3' 111.164 -2.891 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.541 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.929 0 C5'-C4'-C3' 111.121 -2.919 . 0.076 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.541 ' C8 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.001 0 O4'-C1'-N19 110.952 2.752 . 0.038 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . 0.425 " H2'" ' C6 ' ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.003 0 C5'-C4'-C3' 111.406 -2.729 . 0.383 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.425 ' C6 ' " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.026 0 O4'-C1'-N19 110.974 2.774 . 0.21 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.17 0 C5'-C4'-C3' 111.305 -2.797 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.912 0 C5'-C4'-C3' 111.422 -2.719 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.435 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.935 0 O4'-C1'-N19 111.095 2.895 . 0.245 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.513 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.041 0 O4'-C1'-N19 111.167 2.967 . 0.292 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.45 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.285 0 C5'-C4'-C3' 111.273 -2.818 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.496 1.85 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.4 140.96 51.17 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.017 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.67 160.07 16.6 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.224 -0.922 . . . . 0.0 111.211 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.02 -169.23 42.31 Favored Glycine 0 N--CA 1.495 2.608 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.431 ' C ' ' HE3' ' A' ' 6' ' ' LYS . 11.4 t0 -100.89 -177.75 3.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.175 -1.191 . . . . 0.0 110.447 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HE3' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -89.82 96.32 10.63 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.925 . . . . 0.0 109.447 -179.531 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -71.53 59.46 0.31 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.163 -0.961 . . . . 0.0 109.756 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.549 ' OG ' ' HB3' ' A' ' 11' ' ' SER . 0.3 OUTLIER -142.7 66.8 18.35 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.886 -1.134 . . . . 0.0 110.439 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -74.4 -46.73 0.27 Allowed 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 122.139 1.893 . . . . 0.0 110.677 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 10' ' ' ILE . 88.9 mt -94.69 -43.43 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.172 -0.955 . . . . 0.0 109.871 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.549 ' HB3' ' OG ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -49.81 -58.57 5.1 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.099 -1.0 . . . . 0.0 110.578 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -40.87 83.58 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.054 -1.029 . . . . 0.0 110.36 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 16' ' ' ILE . 61.5 t -58.15 -42.29 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.813 -1.179 . . . . 0.0 108.61 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -66.88 -36.1 81.54 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -54.18 46.94 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.586 -0.696 . . . . 0.0 109.906 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.2 pp -67.96 -38.57 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.196 -0.94 . . . . 0.0 109.675 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.608 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -62.15 -52.37 50.29 Favored Glycine 0 N--CA 1.5 2.94 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.516 HG21 HD11 ' A' ' 18' ' ' ILE . 48.0 mm -79.93 61.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -167.71 -53.2 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.099 -1.001 . . . . 0.0 109.379 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.04 34.19 1.6 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.213 -0.929 . . . . 0.0 109.471 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 55.24 54.62 8.49 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.327 -0.858 . . . . 0.0 110.087 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.608 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 3.8 mtt -120.74 132.89 55.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.036 -1.04 . . . . 0.0 110.123 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.525 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -85.83 100.13 11.85 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.106 -0.996 . . . . 0.0 110.152 -179.619 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.426 ' CG2' ' HA3' ' A' ' 17' ' ' GLY . 61.5 t -71.42 96.29 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.915 -1.116 . . . . 0.0 109.126 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.61 ' HB2' HG21 ' A' ' 45' ' ' ILE . 3.8 m-70 -117.18 78.41 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.929 -1.107 . . . . 0.0 110.211 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 44' ' ' CYS . 5.1 m-85 -69.27 160.19 31.68 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.48 -0.762 . . . . 0.0 109.972 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -175.2 -179.81 1.4 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.114 -0.991 . . . . 0.0 110.151 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -132.49 152.19 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.115 -0.991 . . . . 0.0 108.887 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 8.0 mt -94.39 -52.33 4.39 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.155 -0.966 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 176.37 133.04 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.76 -0.587 . . . . 0.0 110.272 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.591 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 2.2 pm0 -108.64 10.31 27.01 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.66 -0.65 . . . . 0.0 110.021 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.575 ' HB3' ' HD2' ' A' ' 38' ' ' LYS . 1.2 tp10 60.27 -171.05 0.14 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.332 -0.855 . . . . 0.0 110.661 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.14 120.41 5.6 Favored Glycine 0 N--CA 1.501 2.999 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.678 ' HA ' ' HG3' ' A' ' 38' ' ' LYS . 34.8 Cg_endo -75.61 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.315 -1.192 0 C-N-CA 122.651 2.234 . . . . 0.0 111.178 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.83 -66.52 0.21 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.3 -0.875 . . . . 0.0 109.59 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -131.36 98.62 4.59 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.247 -0.908 . . . . 0.0 110.023 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.52 102.65 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 121.991 0.9 . . . . 0.0 110.87 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.678 ' HG3' ' HA ' ' A' ' 34' ' ' PRO . 4.8 mmtt -124.24 -177.02 3.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.957 -1.089 . . . . 0.0 110.389 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.591 ' O ' ' HA ' ' A' ' 31' ' ' GLU . 50.1 m-20 -136.68 131.94 34.26 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.516 -0.74 . . . . 0.0 109.074 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.478 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 40.9 m-85 -107.25 90.19 3.23 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.994 -1.066 . . . . 0.0 110.766 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.472 HG22 HD13 ' A' ' 29' ' ' LEU . 10.2 mm -73.73 100.76 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.098 -1.001 . . . . 0.0 109.257 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 62' ' ' LYS . 25.5 m -93.33 144.72 25.05 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.209 -0.932 . . . . 0.0 110.466 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -134.99 157.56 46.6 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.433 -0.792 . . . . 0.0 109.944 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' C ' HG22 ' A' ' 50' ' ' VAL . 42.2 t -151.84 121.15 6.79 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.918 -1.114 . . . . 0.0 109.589 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.73 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 8.1 tt -101.2 135.87 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.05 -1.031 . . . . 0.0 109.699 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.602 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 98.7 t -136.68 114.47 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . 57.2 42.69 93.47 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 5.0 m 82.98 -33.04 0.08 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.841 -0.799 . . . . 0.0 111.297 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -81.35 117.18 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.68 -1.262 . . . . 0.0 110.01 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.73 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 4.8 p -104.26 159.75 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.764 -1.21 . . . . 0.0 110.379 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.587 HG22 ' SD ' ' A' ' 69' ' ' MET . 14.7 t -122.2 142.68 50.17 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -108.22 134.25 51.33 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.253 -0.905 . . . . 0.0 108.86 179.409 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -129.54 93.43 0.33 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.05 83.19 0.22 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.628 -0.925 . . . . 0.0 110.015 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.63 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -85.57 141.49 18.87 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 39' ' ' ASN . 2.5 t-20 -62.71 -70.36 0.21 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.235 -1.156 . . . . 0.0 110.076 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 40' ' ' PHE . . . 164.97 134.52 1.67 Allowed Glycine 0 N--CA 1.499 2.894 0 O-C-N 120.754 -1.216 . . . . 0.0 110.676 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.52 -42.39 0.4 Allowed 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.531 -0.982 . . . . 0.0 111.472 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -94.23 -46.37 7.11 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.02 -1.05 . . . . 0.0 109.66 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.564 HG11 ' HB2' ' A' ' 64' ' ' ARG . 1.5 t -128.72 149.07 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.123 -0.986 . . . . 0.0 110.989 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.63 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.4 OUTLIER 169.54 -86.53 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.582 ' HA ' HG22 ' A' ' 42' ' ' THR . 0.2 OUTLIER -61.3 -42.16 98.19 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.151 -0.968 . . . . 0.0 109.024 178.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.23 -55.16 38.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.484 -0.76 . . . . 0.0 109.709 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.564 ' HB2' HG11 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -58.42 -45.78 87.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.459 -0.776 . . . . 0.0 110.175 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.496 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . . . -57.01 -44.56 82.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.195 -0.94 . . . . 0.0 109.594 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.97 -42.2 66.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.508 -0.745 . . . . 0.0 110.187 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.93 -54.63 27.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.245 -0.91 . . . . 0.0 109.499 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' NZ ' ' OE2' ' A' ' 52' ' ' GLU . 2.2 tttt -58.47 -45.22 89.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.45 -0.781 . . . . 0.0 110.23 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.587 ' SD ' HG22 ' A' ' 51' ' ' THR . 1.3 ttt -60.82 -52.5 64.79 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.014 -1.054 . . . . 0.0 109.639 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.443 ' HA ' HD21 ' A' ' 73' ' ' LEU . 85.4 mt -59.81 -44.64 93.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.465 -0.772 . . . . 0.0 109.482 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 36.7 t -54.59 -39.26 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.269 -0.895 . . . . 0.0 109.832 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.18 -55.13 5.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.415 -0.803 . . . . 0.0 110.44 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 70' ' ' LEU . 2.9 pp -62.44 -24.92 67.69 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.851 -1.156 . . . . 0.0 111.473 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -76.17 6.85 4.82 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.674 -1.267 . . . . 0.0 110.485 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -106.05 -17.66 14.26 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.99 -1.069 . . . . 0.0 110.314 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.485 1.306 0 O-C-N 121.302 -0.874 . . . . 0.0 109.845 -179.059 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.425 ' N3 ' " H5'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.434 1.577 0 O4'-C1'-N19 111.557 3.357 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.477 ' C2 ' ' N4 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.176 0 C5'-C4'-C3' 110.925 -3.05 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.021 0 C5'-C4'-C3' 111.211 -2.859 . 0.041 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.186 0 O4'-C1'-N19 111.181 2.981 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.047 0 C5'-C4'-C3' 111.056 -2.963 . 0.011 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.212 0 C5'-C4'-C3' 111.116 -2.923 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.452 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.081 0 C5'-C4'-C3' 111.11 -2.927 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.483 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.012 0 C5'-C4'-C3' 111.274 -2.817 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.99 0 C5'-C4'-C3' 111.309 -2.794 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.446 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.947 0 C5'-C4'-C3' 111.178 -2.881 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.629 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.213 0 O4'-C1'-N19 111.168 2.968 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.629 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.999 0 O4'-C1'-N19 111.032 2.832 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.475 HO2' " C4'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.919 0 O4'-C1'-N19 112.062 3.862 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.543 " O2'" ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.048 0 C3'-C2'-C1' 104.482 3.314 . 0.093 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.52 ' H6 ' " O5'" ' B' ' 15' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.871 0 C5'-C4'-C3' 111.413 -2.724 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.543 ' H5 ' " O2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.967 0 C5'-C4'-C3' 111.296 -2.803 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.778 ' N3 ' " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.342 0 C5'-C4'-C3' 110.677 -3.215 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.615 " C1'" ' H22' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 111.33 -2.78 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.214 0 C5'-C4'-C3' 111.045 -2.97 . 0.187 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.445 ' C2 ' " H1'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.048 0 C5'-C4'-C3' 111.237 -2.842 . 0.15 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.44 " H5'" HO2' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.002 0 C5'-C4'-C3' 111.066 -2.956 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.99 0 C5'-C4'-C3' 111.231 -2.846 . 0.041 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.028 0 C5'-C4'-C3' 111.28 -2.814 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.011 0 C5'-C4'-C3' 111.285 -2.81 . 0.033 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.965 0 C5'-C4'-C3' 111.225 -2.85 . 0.314 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.416 " H2'" " O4'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.116 0 C5'-C4'-C3' 111.225 -2.85 . 0.049 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.416 " O4'" " H2'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C3'-C2'-C1' 104.146 2.94 . 0.297 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.992 0 C5'-C4'-C3' 111.005 -2.997 . 0.023 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.186 0 C5'-C4'-C3' 111.1 -2.933 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.477 ' N4 ' ' C2 ' ' B' ' 2' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.338 0 C5'-C4'-C3' 111.269 -2.82 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.54 177.22 7.78 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.275 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -137.91 170.77 15.47 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.404 -0.81 . . . . 0.0 110.388 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.18 -160.44 46.18 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -133.29 153.84 51.22 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.561 -0.964 . . . . 0.0 109.289 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -91.66 29.36 1.54 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.043 -1.036 . . . . 0.0 110.327 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 9' ' ' PRO . 4.4 ptpt -115.01 44.46 1.79 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.073 -1.017 . . . . 0.0 109.693 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.473 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . 23.2 t -118.46 77.82 14.12 Favored Pre-proline 0 N--CA 1.498 1.971 0 O-C-N 121.138 -0.976 . . . . 0.0 109.483 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 36.8 Cg_endo -79.44 -61.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.202 0 C-N-CA 122.465 2.11 . . . . 0.0 110.818 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.0 mm -64.29 -49.45 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.905 -1.122 . . . . 0.0 110.199 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -64.79 0.75 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.42 -0.8 . . . . 0.0 110.455 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.473 ' HG3' ' HB3' ' A' ' 8' ' ' SER . 32.6 mt-30 -49.1 -41.27 35.2 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.165 -0.959 . . . . 0.0 110.754 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.533 ' HA ' HD21 ' A' ' 70' ' ' LEU . 41.6 t -59.33 -48.48 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.761 -1.212 . . . . 0.0 108.505 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -63.35 -40.11 96.38 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.49 ' HG2' HO2' ' B' ' 15' ' ' ' U' . 2.6 mt-10 -57.94 -52.89 63.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.528 -0.733 . . . . 0.0 109.424 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 70.0 mt -62.12 -43.47 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.092 -1.005 . . . . 0.0 109.769 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.36 -44.2 98.36 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.6 mt -76.79 -34.26 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.613 -0.933 . . . . 0.0 109.954 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -54.81 -23.89 20.28 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.292 -0.88 . . . . 0.0 111.227 -179.608 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.38 -74.49 0.61 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.102 -0.999 . . . . 0.0 109.883 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 170.12 47.37 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.463 -0.773 . . . . 0.0 109.695 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.8 mtt -119.08 101.11 7.78 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.762 -1.211 . . . . 0.0 110.355 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.65 112.51 2.03 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.305 -0.872 . . . . 0.0 109.092 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 p -89.96 125.11 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.443 -0.786 . . . . 0.0 110.261 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.524 ' HB2' HG23 ' A' ' 45' ' ' ILE . 87.3 m-70 -125.34 109.13 12.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.17 -0.956 . . . . 0.0 109.747 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -94.78 110.4 22.27 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.347 -0.846 . . . . 0.0 109.826 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -149.09 118.31 6.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.059 -1.026 . . . . 0.0 110.44 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 46.4 t -55.57 145.38 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 120.94 -1.1 . . . . 0.0 109.053 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -87.63 -39.89 14.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.054 -1.029 . . . . 0.0 108.926 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -172.4 114.52 0.3 Allowed 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HG2' ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -93.72 165.36 12.74 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.386 -0.821 . . . . 0.0 109.955 -179.423 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.513 ' O ' ' HD3' ' A' ' 34' ' ' PRO . 2.7 mt-10 -96.32 -178.02 4.16 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.381 -0.824 . . . . 0.0 108.813 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.598 ' O ' ' HG3' ' A' ' 38' ' ' LYS . . . -66.66 110.69 3.63 Favored Glycine 0 N--CA 1.505 3.296 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HD3' ' O ' ' A' ' 32' ' ' GLU . 33.7 Cg_endo -73.98 71.23 4.28 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 122.052 1.835 . . . . 0.0 111.079 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.14 -60.26 0.22 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.178 -0.951 . . . . 0.0 110.443 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -95.98 77.02 3.14 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.068 -1.02 . . . . 0.0 111.354 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 42.32 83.47 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 CA-C-O 121.582 0.706 . . . . 0.0 111.973 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.598 ' HG3' ' O ' ' A' ' 33' ' ' GLY . 6.0 mmpt? -124.18 154.25 40.36 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.757 -1.215 . . . . 0.0 110.127 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.32 153.81 18.34 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.393 -0.817 . . . . 0.0 110.331 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.421 ' HD2' ' HA2' ' A' ' 57' ' ' GLY . 12.7 m-85 -109.53 114.78 28.7 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.185 -0.947 . . . . 0.0 110.409 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 mp -97.38 106.78 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.822 -1.174 . . . . 0.0 109.33 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 95.5 m -94.95 140.78 29.46 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.176 -0.953 . . . . 0.0 110.489 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' H ' ' HA ' ' A' ' 28' ' ' VAL . . . -108.38 144.42 35.97 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 49.7 t -142.87 149.67 38.83 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.987 -1.071 . . . . 0.0 110.234 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.524 HG23 ' HB2' ' A' ' 25' ' ' HIS . 5.5 tt -129.42 148.76 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.371 -0.831 . . . . 0.0 109.094 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.432 HG23 ' HB ' ' A' ' 49' ' ' ILE . 3.7 m -138.13 101.03 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.206 -0.934 . . . . 0.0 109.745 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.47 -87.62 0.12 Allowed Glycine 0 N--CA 1.5 2.921 0 N-CA-C 110.021 -1.232 . . . . 0.0 110.021 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.1 p -131.13 18.5 4.96 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.269 -1.136 . . . . 0.0 110.719 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.432 ' HB ' HG23 ' A' ' 46' ' ' VAL . 32.1 mm -122.99 142.14 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.914 -1.116 . . . . 0.0 109.673 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.452 HG22 HG13 ' A' ' 45' ' ' ILE . 1.5 t -118.69 148.65 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.283 -0.886 . . . . 0.0 109.431 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.496 ' HB ' ' CG ' ' A' ' 69' ' ' MET . 1.2 m -162.82 147.23 11.58 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.494 -0.754 . . . . 0.0 109.07 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -122.88 177.9 5.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.99 . . . . 0.0 110.743 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.455 ' HA3' ' HB3' ' A' ' 65' ' ' ALA . . . -142.06 127.98 3.43 Favored Glycine 0 N--CA 1.501 2.975 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -91.53 36.95 0.95 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.588 -0.948 . . . . 0.0 110.583 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -55.42 148.56 25.53 Favored Glycine 0 N--CA 1.502 3.041 0 O-C-N 120.896 -1.128 . . . . 0.0 110.346 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -54.8 -67.36 0.28 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.388 -1.066 . . . . 0.0 109.794 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.421 ' HA2' ' HD2' ' A' ' 40' ' ' PHE . . . -110.41 169.41 13.47 Favored Glycine 0 N--CA 1.497 2.732 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -52.61 -35.49 54.54 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.147 -1.207 . . . . 0.0 110.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 20.3 mtmt -57.59 -21.31 38.31 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.334 -0.854 . . . . 0.0 110.083 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 t -113.33 -41.41 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.209 -0.932 . . . . 0.0 109.381 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.423 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 18.9 t -45.19 -61.32 1.69 Allowed 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.752 -0.593 . . . . 0.0 111.856 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -42.02 99.04 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.293 -0.88 . . . . 0.0 110.858 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' A' ' 59' ' ' LYS . 5.0 mttt -64.81 -48.97 72.5 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.247 -0.908 . . . . 0.0 109.779 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 4.2 tpt85 -57.56 -44.15 85.04 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.573 -0.704 . . . . 0.0 110.128 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.455 ' HB3' ' HA3' ' A' ' 53' ' ' GLY . . . -68.76 -45.75 70.59 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.328 -0.858 . . . . 0.0 110.19 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' O ' HD13 ' A' ' 70' ' ' LEU . . . -57.61 -64.65 0.83 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.297 -0.877 . . . . 0.0 110.961 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -51.19 -48.38 61.97 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.22 -0.925 . . . . 0.0 109.905 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -53.71 -37.53 63.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.274 -0.891 . . . . 0.0 110.51 179.346 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.496 ' CG ' ' HB ' ' A' ' 51' ' ' THR . 16.6 mtp -66.29 -53.35 37.65 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.137 -0.977 . . . . 0.0 109.255 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 13' ' ' VAL . 10.5 mp -57.56 -41.18 80.52 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.415 -0.803 . . . . 0.0 109.212 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 76.1 t -57.15 -34.79 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.332 -0.855 . . . . 0.0 109.842 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -85.27 -58.41 2.69 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.59 -0.694 . . . . 0.0 109.423 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 69' ' ' MET . 9.5 mp -54.46 -33.18 59.17 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.421 -0.799 . . . . 0.0 111.255 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.98 24.16 0.95 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.723 -1.236 . . . . 0.0 109.449 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 -8.0 2.78 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.385 -0.822 . . . . 0.0 110.755 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.225 -0.922 . . . . 0.0 110.196 -179.544 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C5'-C4'-C3' 111.252 -2.832 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.191 0 O4'-C1'-N19 111.044 2.844 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.475 " H2'" ' C6 ' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.918 0 C5'-C4'-C3' 111.123 -2.918 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.475 ' C6 ' " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.442 2.318 0 O4'-C1'-N19 111.077 2.877 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.081 0 O4'-C1'-N19 111.09 2.89 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 C5'-C4'-C3' 111.218 -2.855 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.469 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.119 0 O4'-C1'-N19 111.061 2.861 . 0.041 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.607 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.099 0 O4'-C1'-N19 110.933 2.733 . 0.107 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C5'-C4'-C3' 111.262 -2.825 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.405 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.954 0 C5'-C4'-C3' 111.147 -2.902 . 0.039 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.602 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.105 0 C5'-C4'-C3' 111.05 -2.966 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.038 0 C5'-C4'-C3' 110.927 -3.049 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C5'-C4'-C3' 111.257 -2.828 . 0.198 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.478 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C5'-C4'-C3' 110.976 -3.016 . 0.167 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.49 HO2' ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 O4'--C1' 1.438 2.01 0 O4'-C1'-N19 111.27 3.07 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.478 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 C2'--O2' 1.435 1.654 0 O4'-C1'-N19 111.149 2.949 . 0.091 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.846 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.122 0 O4'-C1'-N19 111.148 2.948 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.846 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.101 0 C5'-C4'-C3' 111.321 -2.786 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.636 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.135 0 C5'-C4'-C3' 111.278 -2.815 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.54 ' N3 ' " H2'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.012 0 C5'-C4'-C3' 111.128 -2.915 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.456 " H2'" ' C6 ' ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.092 0 C5'-C4'-C3' 111.256 -2.829 . 0.046 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.511 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.134 0 C5'-C4'-C3' 111.313 -2.792 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.151 -2.899 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . 0.492 " H2'" " O4'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.825 0 C5'-C4'-C3' 111.233 -2.845 . 0.175 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.492 " O4'" " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.075 0 O4'-C1'-N19 111.044 2.844 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.053 0 O4'-C1'-N19 111.089 2.889 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.07 0 C5'-C4'-C3' 111.361 -2.759 . 0.07 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.511 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.001 0 C5'-C4'-C3' 111.263 -2.825 . 0.298 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.994 0 C5'-C4'-C3' 111.343 -2.771 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 O4'-C1'-N19 110.937 2.737 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.3 mmm . . . . . 0 N--CA 1.501 2.076 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.57 122.57 19.03 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.168 0.509 . . . . 0.0 109.807 -176.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -118.83 168.73 10.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.307 -0.871 . . . . 0.0 110.029 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.82 67.25 0.56 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.66 -49.48 6.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.542 -0.975 . . . . 0.0 109.792 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' HG3' ' OE1' ' A' ' 12' ' ' GLN . 21.4 tttm 62.63 79.3 0.26 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.417 -0.802 . . . . 0.0 110.178 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 8' ' ' SER . 14.8 mttt -66.13 68.84 0.05 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.316 -0.865 . . . . 0.0 110.235 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.514 ' HB3' ' OG ' ' A' ' 11' ' ' SER . 0.2 OUTLIER 76.72 156.44 0.15 Allowed Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 121.406 -0.809 . . . . 0.0 110.449 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD2' ' OG ' ' A' ' 8' ' ' SER . 36.0 Cg_endo -78.3 -52.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 122.546 2.164 . . . . 0.0 111.23 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.4 mt -51.3 -48.12 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.32 0 O-C-N 121.483 -0.761 . . . . 0.0 110.412 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.514 ' OG ' ' HB3' ' A' ' 8' ' ' SER . 0.0 OUTLIER -54.62 -60.55 3.21 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.577 -0.702 . . . . 0.0 110.075 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.474 ' OE1' ' HG3' ' A' ' 6' ' ' LYS . 30.5 mt-30 -55.72 -37.71 68.78 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.211 -0.931 . . . . 0.0 110.072 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.407 HG21 ' HB2' ' A' ' 66' ' ' ALA . 61.5 t -62.26 -43.66 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.886 -1.134 . . . . 0.0 108.219 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -66.46 -39.92 89.1 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.61 ' HG2' HO2' ' B' ' 15' ' ' ' U' . 24.8 mt-10 -59.88 -54.85 41.37 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.675 -0.64 . . . . 0.0 109.856 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.38 -37.95 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 120.957 -1.089 . . . . 0.0 109.988 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.544 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -65.16 -52.52 40.26 Favored Glycine 0 N--CA 1.499 2.873 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -62.11 -43.12 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.529 -0.983 . . . . 0.0 108.696 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.1 mttm -62.98 -16.33 59.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.455 -0.778 . . . . 0.0 110.499 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.81 21.77 12.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.009 -1.057 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.07 39.02 29.46 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.098 -1.001 . . . . 0.0 110.479 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.38 133.96 52.42 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.907 -1.121 . . . . 0.0 109.953 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.409 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -74.3 87.91 2.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.113 -0.992 . . . . 0.0 109.755 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.544 ' CG2' ' HA3' ' A' ' 17' ' ' GLY . 97.5 t -93.79 112.1 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.397 -0.814 . . . . 0.0 109.193 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.504 ' HB2' HG23 ' A' ' 45' ' ' ILE . 11.3 m-70 -131.02 126.09 35.0 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.214 -0.929 . . . . 0.0 109.378 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -100.54 148.32 24.93 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.32 -0.862 . . . . 0.0 110.213 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.1 110.7 3.55 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.411 -0.806 . . . . 0.0 109.381 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 6.7 t -86.6 139.76 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.899 -1.126 . . . . 0.0 109.303 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mt -92.52 -40.34 10.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.281 -0.887 . . . . 0.0 109.719 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 40' ' ' PHE . 2.3 mpt_? -158.74 117.8 3.05 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.467 -0.77 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -105.52 36.32 2.56 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.281 -0.887 . . . . 0.0 109.57 179.307 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.84 -82.38 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.188 -0.945 . . . . 0.0 109.123 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.2 -116.61 4.24 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.715 ' HG2' ' HB3' ' A' ' 37' ' ' MET . 37.3 Cg_endo -82.34 121.04 3.37 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.232 1.955 . . . . 0.0 109.748 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.16 -29.1 0.07 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.421 -0.799 . . . . 0.0 111.878 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -81.79 -53.98 5.75 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.1 -1.0 . . . . 0.0 110.488 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.715 ' HB3' ' HG2' ' A' ' 34' ' ' PRO . 6.1 ttt -93.1 67.09 4.19 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.077 -1.014 . . . . 0.0 109.298 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -68.71 82.79 0.29 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.599 -0.688 . . . . 0.0 110.412 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -101.08 157.73 16.54 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.191 -0.943 . . . . 0.0 109.627 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.527 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 25.1 m-85 -123.78 98.7 5.93 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.141 -0.974 . . . . 0.0 110.197 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.621 HG21 ' HG2' ' A' ' 54' ' ' GLU . 1.4 mt -90.03 106.2 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 120.676 -1.265 . . . . 0.0 109.543 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 88.5 m -109.72 122.76 48.2 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.153 -0.967 . . . . 0.0 110.273 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.66 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -107.63 143.95 35.37 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.203 -0.936 . . . . 0.0 108.964 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.452 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 4.1 m -142.33 152.04 42.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.854 -1.153 . . . . 0.0 110.455 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.504 HG23 ' HB2' ' A' ' 25' ' ' HIS . 17.5 tt -121.49 140.89 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.157 -0.964 . . . . 0.0 109.029 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.54 HG22 ' HB3' ' A' ' 73' ' ' LEU . 12.5 p -132.92 74.88 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 109.839 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.409 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 43.53 -87.76 0.01 OUTLIER Glycine 0 N--CA 1.506 3.321 0 O-C-N 121.81 -0.556 . . . . 0.0 112.007 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 46' ' ' VAL . 48.7 m -44.87 -43.27 8.69 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.836 -0.802 . . . . 0.0 112.153 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -154.47 176.8 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.46 -1.4 . . . . 0.0 111.924 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.478 HG22 HG13 ' A' ' 45' ' ' ILE . 1.5 t -120.12 148.25 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 m -150.29 143.31 24.84 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.175 -0.953 . . . . 0.0 110.229 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.66 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 10.5 pt-20 -111.15 169.0 9.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.113 -0.992 . . . . 0.0 109.629 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.95 106.38 0.3 Allowed Glycine 0 N--CA 1.497 2.73 0 C-N-CA 119.929 -1.129 . . . . 0.0 110.47 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.621 ' HG2' HG21 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -85.38 78.28 9.77 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.456 -1.026 . . . . 0.0 109.194 179.255 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -92.0 162.43 27.43 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -78.07 -167.13 0.94 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.925 -1.338 . . . . 0.0 109.841 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.59 -146.51 0.68 Allowed Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 22.1 mmtt 50.25 30.5 4.43 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.167 -1.196 . . . . 0.0 110.102 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 48.9 mttt 65.97 10.35 6.88 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.454 -0.779 . . . . 0.0 111.206 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -59.18 -50.93 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.729 -1.232 . . . . 0.0 109.658 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.516 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 32.6 t -59.58 -62.0 2.2 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.452 -0.78 . . . . 0.0 110.902 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.454 ' HE2' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -53.41 -32.8 51.3 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.566 -0.709 . . . . 0.0 110.459 -179.578 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -83.31 -60.4 2.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.116 -0.99 . . . . 0.0 109.73 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -50.7 -43.37 57.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.512 -0.743 . . . . 0.0 110.749 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.82 -47.73 83.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.133 -0.98 . . . . 0.0 109.129 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.407 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -68.28 -45.88 71.87 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -53.23 -48.1 68.46 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.164 -0.96 . . . . 0.0 109.812 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.54 -42.48 92.44 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.164 -0.96 . . . . 0.0 109.604 179.283 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.47 ' HE2' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -67.66 -39.12 84.57 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.123 -0.986 . . . . 0.0 109.568 179.291 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.6 mt -53.92 -53.41 53.02 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.504 -0.747 . . . . 0.0 110.224 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.79 -33.58 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.056 -1.027 . . . . 0.0 109.673 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -66.63 -60.44 2.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.0 110.185 179.723 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.54 ' HB3' HG22 ' A' ' 46' ' ' VAL . 1.4 pp -64.17 -26.84 68.7 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.673 -1.267 . . . . 0.0 111.175 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -83.5 -12.81 55.81 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.815 -1.178 . . . . 0.0 110.794 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.586 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -101.74 -26.09 13.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.917 -1.114 . . . . 0.0 110.06 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.406 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 5.2 mt . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 122.669 0.388 . . . . 0.0 111.236 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C5'-C4'-C3' 111.209 -2.861 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 0 C5'-C4'-C3' 111.306 -2.796 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.954 0 C5'-C4'-C3' 111.299 -2.801 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.472 HO2' " C4'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.089 2.889 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.472 " C4'" HO2' ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.054 0 C5'-C4'-C3' 111.232 -2.845 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.006 0 C5'-C4'-C3' 111.088 -2.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.958 0 C5'-C4'-C3' 110.941 -3.039 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.409 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.891 0 C5'-C4'-C3' 111.169 -2.887 . 0.075 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.412 " H2'" ' C6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.069 0 O4'-C1'-N19 111.059 2.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.518 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.008 0 O4'-C1'-N19 111.018 2.818 . 0.295 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.913 0 C5'-C4'-C3' 111.218 -2.855 . 0.144 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.047 0 O4'-C1'-N19 111.17 2.97 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.7 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.28 0 O4'-C1'-N19 111.155 2.955 . 0.049 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.443 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C3'-C2'-C1' 104.469 3.298 . 0.214 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.61 HO2' ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.614 2.067 0 C5'-C4'-C3' 111.415 -2.723 . 0.15 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.443 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.161 0 C5'-C4'-C3' 111.231 -2.846 . 0.033 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.703 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.817 0 C5'-C4'-C3' 110.93 -3.047 . 0.348 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.65 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.167 0 O4'-C1'-N19 111.015 2.815 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.121 0 C5'-C4'-C3' 111.22 -2.853 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.873 0 C5'-C4'-C3' 111.222 -2.852 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.966 0 C5'-C4'-C3' 111.209 -2.86 . 0.038 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.592 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.087 0 C5'-C4'-C3' 111.21 -2.86 . 0.027 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.062 0 C5'-C4'-C3' 111.064 -2.957 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.927 0 C5'-C4'-C3' 111.047 -2.969 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.015 0 C5'-C4'-C3' 111.252 -2.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.934 0 C5'-C4'-C3' 111.221 -2.853 . 0.409 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.016 0 O4'-C1'-N19 110.941 2.741 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.624 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.045 0 C5'-C4'-C3' 111.056 -2.962 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.943 0 C5'-C4'-C3' 111.1 -2.933 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C5'-C4'-C3' 110.995 -3.004 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -79.81 172.32 13.94 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.584 -0.697 . . . . 0.0 110.501 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -178.38 -39.63 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 CA-C-O 121.169 0.509 . . . . 0.0 109.851 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.483 ' HA3' ' HE3' ' A' ' 7' ' ' LYS . . . 110.82 96.5 2.37 Favored Glycine 0 N--CA 1.504 3.194 0 O-C-N 120.67 -1.268 . . . . 0.0 109.941 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 6' ' ' LYS . 6.0 m-20 -69.6 160.95 30.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.713 -0.875 . . . . 0.0 111.635 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 5' ' ' ASP . 19.5 mttt 30.99 61.26 0.23 Allowed 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 121.286 0.565 . . . . 0.0 112.2 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' HE3' ' HA3' ' A' ' 4' ' ' GLY . 2.6 mttp -72.44 86.52 1.15 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.742 -1.224 . . . . 0.0 109.427 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.536 ' OG ' ' CB ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -114.58 88.87 16.86 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.528 -0.732 . . . . 0.0 110.089 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -80.31 -89.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 122.438 2.092 . . . . 0.0 111.766 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.404 ' O ' HG11 ' A' ' 13' ' ' VAL . 48.5 mm -119.51 -47.76 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 120.727 -1.233 . . . . 0.0 110.731 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.3 -52.25 16.85 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.129 -0.982 . . . . 0.0 110.215 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.536 ' CB ' ' OG ' ' A' ' 8' ' ' SER . 3.1 mm-40 -62.78 -44.1 97.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.319 -0.863 . . . . 0.0 110.073 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.444 HG11 ' N ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER -56.88 -39.94 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.047 -1.033 . . . . 0.0 108.678 179.112 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.444 ' N ' HG11 ' A' ' 13' ' ' VAL . 17.6 m-70 -69.46 -41.55 76.08 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.69 -47.1 64.03 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.447 0.641 . . . . 0.0 109.289 178.556 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.32 -49.15 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.234 -0.916 . . . . 0.0 109.663 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.73 56.63 Favored Glycine 0 N--CA 1.499 2.885 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.49 HG23 HD12 ' A' ' 18' ' ' ILE . 47.5 mm -57.74 -47.84 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.409 -1.054 . . . . 0.0 109.458 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -50.91 -39.11 53.61 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.375 -0.828 . . . . 0.0 110.121 179.462 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -99.02 24.58 7.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.276 -0.89 . . . . 0.0 110.253 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 m120 52.19 33.36 12.26 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.158 -0.964 . . . . 0.0 110.451 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.0 mtm -103.07 120.04 39.96 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.069 -1.019 . . . . 0.0 109.583 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.42 125.12 23.15 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.153 -0.967 . . . . 0.0 109.829 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 14' ' ' HIS . 39.4 t -106.22 118.63 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.36 -0.838 . . . . 0.0 109.256 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.484 ' HB2' HG21 ' A' ' 45' ' ' ILE . 34.7 m-70 -129.89 126.52 38.15 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.092 -1.005 . . . . 0.0 110.38 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.49 ' CD2' ' HB2' ' A' ' 44' ' ' CYS . 23.1 m-85 -101.66 145.54 28.95 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.391 -0.818 . . . . 0.0 109.536 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -155.52 124.53 6.15 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.149 -0.969 . . . . 0.0 110.261 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 80.0 t -75.08 148.26 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.059 -1.026 . . . . 0.0 109.029 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mt -96.66 -42.12 8.18 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.151 -0.968 . . . . 0.0 109.68 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -176.15 148.83 0.83 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.584 0.707 . . . . 0.0 110.598 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.2 pm0 -115.23 70.67 0.75 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.744 0.783 . . . . 0.0 109.68 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.43 110.53 11.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.637 -1.289 . . . . 0.0 110.128 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.619 ' HA3' ' HB3' ' A' ' 38' ' ' LYS . . . 173.93 77.25 0.05 OUTLIER Glycine 0 N--CA 1.497 2.705 0 C-N-CA 119.597 -1.287 . . . . 0.0 111.341 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.73 -34.65 1.26 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.501 2.134 . . . . 0.0 110.688 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -173.39 -66.71 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' A' ' 37' ' ' MET . 9.8 m-70 -81.91 106.24 13.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.172 -0.955 . . . . 0.0 109.148 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.446 ' CB ' ' O ' ' A' ' 36' ' ' HIS . 3.3 tpp 77.64 99.97 0.07 Allowed 'General case' 0 N--CA 1.507 2.39 0 CA-C-O 121.352 0.596 . . . . 0.0 110.731 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.619 ' HB3' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -124.31 122.22 37.13 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.934 -1.104 . . . . 0.0 109.816 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.17 162.69 25.54 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.53 -0.731 . . . . 0.0 110.469 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 11.6 m-85 -137.86 95.07 2.98 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.169 -0.957 . . . . 0.0 109.392 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 mt -81.7 115.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.849 -1.157 . . . . 0.0 110.296 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 62.6 m -112.72 130.0 56.22 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.179 -0.95 . . . . 0.0 109.821 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.654 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -109.1 166.26 10.98 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.147 -0.971 . . . . 0.0 110.15 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.49 ' HB2' ' CD2' ' A' ' 26' ' ' PHE . 29.1 t -159.64 152.47 21.65 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.332 -0.855 . . . . 0.0 110.34 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.484 HG21 ' HB2' ' A' ' 25' ' ' HIS . 12.6 tt -129.08 142.22 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.212 -0.93 . . . . 0.0 109.42 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 m -134.22 105.34 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.166 -0.959 . . . . 0.0 109.956 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.57 -90.97 0.16 Allowed Glycine 0 N--CA 1.501 2.984 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.4 p -130.48 23.58 5.12 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.314 -1.109 . . . . 0.0 110.455 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mp -130.04 136.69 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.967 -1.083 . . . . 0.0 109.846 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG23 HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -117.75 143.7 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.187 -0.945 . . . . 0.0 109.499 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.444 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 51.1 m -157.61 143.8 17.64 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.44 -0.787 . . . . 0.0 109.244 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.654 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -121.82 -174.38 2.86 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.018 -1.051 . . . . 0.0 110.466 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.31 117.18 0.83 Allowed Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.28 72.97 5.9 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.252 -1.146 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.712 ' HA3' ' CA ' ' A' ' 61' ' ' SER . . . -74.29 173.21 51.32 Favored Glycine 0 N--CA 1.5 2.92 0 O-C-N 120.854 -1.154 . . . . 0.0 111.024 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.445 ' OD1' ' NZ ' ' A' ' 38' ' ' LYS . 3.4 t-20 -102.77 7.82 39.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.352 -1.087 . . . . 0.0 111.505 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.564 ' HA2' ' CD1' ' A' ' 40' ' ' PHE . . . 156.68 -147.91 17.02 Favored Glycine 0 N--CA 1.503 3.118 0 O-C-N 120.425 -1.422 . . . . 0.0 111.202 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -37.57 54.79 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.857 -0.79 . . . . 0.0 110.786 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' O ' ' HB ' ' A' ' 60' ' ' VAL . 11.0 tttt -105.22 174.41 5.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.138 -0.976 . . . . 0.0 109.265 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' A' ' 59' ' ' LYS . 32.8 t 71.02 -53.72 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.286 0 O-C-N 121.273 -0.892 . . . . 0.0 111.16 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.712 ' CA ' ' HA3' ' A' ' 55' ' ' GLY . 23.0 t -59.13 -69.62 0.19 Allowed 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.622 -1.298 . . . . 0.0 111.071 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -58.74 -36.4 74.27 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.179 -0.95 . . . . 0.0 110.572 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HE3' ' OE1' ' A' ' 67' ' ' GLU . 11.4 ttpp -73.8 -63.74 1.15 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -52.1 -40.05 60.69 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.396 -0.815 . . . . 0.0 110.543 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.15 -51.86 67.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.203 -0.936 . . . . 0.0 109.24 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.99 76.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.257 -0.902 . . . . 0.0 109.751 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' OE1' ' HE3' ' A' ' 63' ' ' LYS . 46.0 mt-10 -54.65 -52.14 63.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.235 -0.916 . . . . 0.0 109.375 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' NZ ' ' HG3' ' A' ' 72' ' ' GLU . 7.6 tptt -56.69 -43.93 80.96 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.372 -0.83 . . . . 0.0 109.265 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.444 ' SD ' ' HB ' ' A' ' 51' ' ' THR . 1.6 ttt -62.88 -54.99 30.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.514 -0.741 . . . . 0.0 110.215 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.418 ' CG ' HG21 ' A' ' 13' ' ' VAL . 50.3 mt -63.68 -50.08 70.64 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.074 -1.016 . . . . 0.0 110.712 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.8 t -45.69 -46.8 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 121.377 -0.827 . . . . 0.0 109.848 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' HG3' ' NZ ' ' A' ' 68' ' ' LYS . 1.2 mt-10 -82.27 -45.83 14.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.044 -1.035 . . . . 0.0 110.331 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.2 mt -56.36 -28.62 59.64 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.059 -1.025 . . . . 0.0 110.242 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -87.4 -11.21 49.91 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.029 -1.045 . . . . 0.0 109.48 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.59 -24.18 13.02 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.402 -0.811 . . . . 0.0 109.953 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 CA--C 1.554 1.116 0 O-C-N 121.677 -0.639 . . . . 0.0 110.674 179.507 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.417 " H2'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.836 0 C5'-C4'-C3' 111.124 -2.917 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.479 " O2'" " H5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.174 0 O4'-C1'-N19 111.206 3.006 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.479 " H5'" " O2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.917 0 C5'-C4'-C3' 111.095 -2.937 . 0.071 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.454 HO2' " C4'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.929 0 O4'-C1'-N19 111.087 2.887 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.454 " C4'" HO2' ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.028 0 O4'-C1'-N19 111.045 2.845 . 0.021 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.086 0 C5'-C4'-C3' 111.146 -2.903 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.906 0 C5'-C4'-C3' 111.238 -2.842 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.961 0 C5'-C4'-C3' 111.068 -2.955 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.974 0 C5'-C4'-C3' 111.27 -2.82 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.443 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.017 0 C5'-C4'-C3' 111.17 -2.886 . 0.203 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.563 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.136 0 O4'-C1'-N19 111.032 2.832 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.453 ' O2 ' " H2'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.091 0 C5'-C4'-C3' 111.039 -2.974 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.622 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.13 0 C5'-C4'-C3' 111.22 -2.853 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.526 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C3'-C2'-C1' 104.609 3.455 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.44 " H2'" " O3'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.074 0 C5'-C4'-C3' 111.189 -2.874 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.526 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.821 0 C5'-C4'-C3' 111.152 -2.899 . 0.062 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.745 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.055 0 C5'-C4'-C3' 110.893 -3.071 . 0.64 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.745 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.076 0 C5'-C4'-C3' 111.176 -2.883 . 0.011 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.037 0 C5'-C4'-C3' 110.875 -3.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.564 ' N3 ' " H2'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.932 0 C5'-C4'-C3' 111.118 -2.921 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.405 ' N1 ' ' N3 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.018 0 C5'-C4'-C3' 111.189 -2.874 . 0.122 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.039 0 O4'-C1'-N19 111.165 2.965 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.123 0 C5'-C4'-C3' 111.35 -2.767 . 0.275 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . 0.421 " H2'" ' C6 ' ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.137 0 O4'-C1'-N19 111.042 2.842 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.421 ' C6 ' " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.039 0 C5'-C4'-C3' 111.323 -2.785 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.021 0 C5'-C4'-C3' 111.234 -2.844 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.083 0 O4'-C1'-N19 110.995 2.795 . 0.022 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.939 0 C5'-C4'-C3' 111.227 -2.848 . 0.147 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C3'-C2'-C1' 104.495 3.328 . 0.031 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 111.086 2.886 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.1 113.98 4.9 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 63.88 -160.65 0.3 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.365 -0.834 . . . . 0.0 109.318 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.25 -138.98 2.83 Favored Glycine 0 N--CA 1.502 3.065 0 O-C-N 120.456 -1.402 . . . . 0.0 111.194 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -158.83 -70.81 0.09 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.484 -1.009 . . . . 0.0 109.805 -179.032 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' A' ' 5' ' ' ASP . 13.8 tttt -179.86 -59.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.905 -1.122 . . . . 0.0 109.775 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 20.7 mmtm 44.22 63.89 1.49 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.538 0.685 . . . . 0.0 110.236 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.437 ' OG ' ' HG2' ' A' ' 6' ' ' LYS . 11.3 m -114.44 76.8 3.98 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.137 -0.977 . . . . 0.0 109.871 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.46 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 35.8 Cg_endo -77.85 -67.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.024 0 C-N-CA 122.367 2.045 . . . . 0.0 112.601 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' SER . 41.2 mm -117.51 -78.28 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.492 -1.38 . . . . 0.0 111.819 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -37.43 -65.05 0.34 Allowed 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.332 -0.855 . . . . 0.0 111.218 -178.663 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -49.18 -39.64 30.17 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.358 -0.839 . . . . 0.0 110.626 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.613 HG23 ' HG ' ' A' ' 70' ' ' LEU . 36.2 t -63.87 -46.45 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 120.9 -1.125 . . . . 0.0 108.448 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.55 ' HB3' ' N7 ' ' B' ' 17' ' ' ' G' . 15.6 m-70 -61.18 -50.3 73.73 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.648 ' HG2' HO2' ' B' ' 15' ' ' ' U' . 6.3 mt-10 -52.21 -48.82 64.88 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.415 HG23 HD11 ' A' ' 16' ' ' ILE . 15.0 mm -62.81 -38.49 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.207 -0.933 . . . . 0.0 109.17 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.34 -51.77 55.64 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.57 HG22 ' C8 ' ' B' ' 17' ' ' ' G' . 0.4 OUTLIER -74.59 -39.68 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 121.229 -1.159 . . . . 0.0 109.248 179.663 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -59.47 -28.45 67.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.017 -1.052 . . . . 0.0 110.196 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.562 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -105.15 -60.63 1.59 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.481 -0.762 . . . . 0.0 109.828 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.562 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER 154.97 -1.44 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.883 0 O-C-N 122.099 -0.376 . . . . 0.0 111.222 179.573 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.418 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 2.6 mtt -72.56 147.55 45.8 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.35 -1.469 . . . . 0.0 110.651 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.595 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 42.2 p -65.86 -57.94 6.76 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.48 -0.763 . . . . 0.0 110.931 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.559 ' HA ' HG22 ' A' ' 46' ' ' VAL . 51.8 t 66.23 87.89 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-O 121.873 0.844 . . . . 0.0 109.812 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.595 ' NE2' ' HB ' ' A' ' 23' ' ' THR . 6.6 m-70 -126.98 124.14 38.76 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.842 -1.161 . . . . 0.0 109.687 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -112.96 132.44 55.35 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.318 -0.864 . . . . 0.0 110.025 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 6.9 tttm -148.76 124.31 10.38 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.087 -1.008 . . . . 0.0 110.183 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.714 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 2.4 p -75.62 153.75 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.801 -1.187 . . . . 0.0 110.432 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.591 ' HB2' HG22 ' A' ' 41' ' ' ILE . 1.7 mt -113.97 -35.3 5.14 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.166 -0.959 . . . . 0.0 109.827 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' HB2' HG23 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -141.23 124.25 16.32 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.45 -0.781 . . . . 0.0 109.477 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.536 ' HA ' ' CD1' ' A' ' 40' ' ' PHE . 1.1 mt-10 -136.0 67.04 1.48 Allowed 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.76 ' HB2' ' HG3' ' A' ' 38' ' ' LYS . 1.9 mp0 -49.27 134.24 18.51 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.311 -0.868 . . . . 0.0 110.194 -179.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.14 -138.32 0.6 Allowed Glycine 0 N--CA 1.499 2.869 0 O-C-N 121.157 -0.964 . . . . 0.0 110.739 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' HG3' ' N4 ' ' B' ' 25' ' ' ' C' . 36.2 Cg_endo -78.46 148.0 23.11 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.461 2.107 . . . . 0.0 110.776 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' HB3' ' N4 ' ' B' ' 4' ' ' ' C' . . . 174.24 -78.88 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.402 -0.811 . . . . 0.0 109.756 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.632 ' HB2' ' N7 ' ' B' ' 3' ' ' ' A' . 0.6 OUTLIER -150.03 -76.15 0.15 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.253 -0.905 . . . . 0.0 109.41 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.482 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 7.5 tpt -125.14 -68.59 0.84 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.158 -0.964 . . . . 0.0 110.354 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.76 ' HG3' ' HB2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER 52.46 -173.84 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.967 0.413 . . . . 0.0 111.036 179.596 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 38' ' ' LYS . 53.7 m-80 -142.3 -171.01 3.3 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.622 -1.299 . . . . 0.0 110.538 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.606 ' CZ ' ' HE2' ' A' ' 38' ' ' LYS . 65.7 m-85 -142.97 110.33 5.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.226 -0.921 . . . . 0.0 109.441 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.591 HG22 ' HB2' ' A' ' 29' ' ' LEU . 21.5 tt -106.72 121.88 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.45 -1.406 . . . . 0.0 110.281 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 27.5 m -121.92 128.53 51.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.428 -0.795 . . . . 0.0 109.517 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -101.06 150.0 23.36 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.243 -0.911 . . . . 0.0 109.767 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.2 p -147.09 144.23 28.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.082 -1.011 . . . . 0.0 110.244 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.508 HG23 ' HB2' ' A' ' 25' ' ' HIS . 17.1 tt -128.69 144.57 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.328 -0.857 . . . . 0.0 110.105 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 24' ' ' VAL . 61.3 t -134.89 104.86 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.115 -0.991 . . . . 0.0 109.521 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.48 -86.55 0.42 Allowed Glycine 0 N--CA 1.499 2.878 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -138.87 20.33 2.66 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.378 -1.072 . . . . 0.0 110.381 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.431 HD13 HG21 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -123.25 141.34 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.986 -1.071 . . . . 0.0 108.864 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.466 HG21 HG13 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -123.25 146.93 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.261 -0.9 . . . . 0.0 109.797 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.535 ' HB ' ' HG3' ' A' ' 69' ' ' MET . 1.2 m -148.01 124.61 11.08 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.503 -0.748 . . . . 0.0 109.413 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -88.43 159.05 18.17 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.362 -0.836 . . . . 0.0 110.918 -179.429 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.406 ' HA3' ' HB1' ' A' ' 65' ' ' ALA . . . -132.58 96.27 0.31 Allowed Glycine 0 N--CA 1.498 2.805 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -85.84 30.77 0.64 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.44 -1.035 . . . . 0.0 111.259 -179.269 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.37 132.16 7.13 Favored Glycine 0 N--CA 1.507 3.393 0 O-C-N 120.863 -1.148 . . . . 0.0 110.364 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -68.87 -35.54 77.02 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.188 -1.184 . . . . 0.0 110.503 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -102.06 149.94 18.1 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.53 ' HE2' ' OE1' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -48.97 -44.88 41.35 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.515 -0.991 . . . . 0.0 110.29 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' O ' ' HE2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -69.89 -6.23 31.35 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.669 -0.644 . . . . 0.0 111.283 -179.776 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.4 t -98.67 -46.69 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.858 -1.152 . . . . 0.0 109.076 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -63.34 -50.35 70.33 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.524 -0.735 . . . . 0.0 110.376 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.13 55.99 2.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.137 -0.977 . . . . 0.0 109.357 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HE2' ' O ' ' A' ' 59' ' ' LYS . 0.7 OUTLIER -179.77 -63.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -38.36 19.32 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.442 -0.786 . . . . 0.0 110.168 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB1' ' HA3' ' A' ' 53' ' ' GLY . . . -65.66 -39.59 91.52 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.118 -0.989 . . . . 0.0 109.452 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.87 -57.0 4.1 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.378 -0.826 . . . . 0.0 110.239 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.16 -52.06 38.44 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.305 -0.872 . . . . 0.0 109.382 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.433 ' CD ' HG22 ' A' ' 51' ' ' THR . 1.9 tttm -53.53 -47.81 69.61 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.535 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -54.86 -49.23 71.64 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.449 -0.782 . . . . 0.0 109.556 178.774 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.613 ' HG ' HG23 ' A' ' 13' ' ' VAL . 2.2 mt -63.46 -35.07 79.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.715 -1.24 . . . . 0.0 108.977 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.4 t -58.37 -55.02 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.388 -0.82 . . . . 0.0 109.149 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -67.83 -42.69 81.06 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.162 -0.961 . . . . 0.0 109.941 179.09 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.4 mt -60.53 -30.67 69.89 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.015 -1.053 . . . . 0.0 110.743 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -81.42 6.61 14.01 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.896 -1.127 . . . . 0.0 110.063 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.21 4.32 6.38 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.081 -1.012 . . . . 0.0 110.99 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.159 -179.782 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.568 ' N3 ' " H2'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.434 1.591 0 C5'-C4'-C3' 111.045 -2.97 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.417 ' C2 ' ' C8 ' ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.611 1.846 0 C5'-C4'-C3' 111.033 -2.978 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.632 ' N7 ' ' HB2' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C4' 1.427 -2.147 0 O4'-C1'-N19 110.907 2.707 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.501 ' N4 ' ' HB3' ' A' ' 35' ' ' ALA . . . . . . . . 0 P--O5' 1.616 2.264 0 C5'-C4'-C3' 111.21 -2.86 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 O4'-C1'-N19 110.999 2.799 . 0.31 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.2 0 O4'-C1'-N19 111.073 2.873 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.056 0 O4'-C1'-N19 111.186 2.986 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.414 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.089 0 O4'-C1'-N19 111.02 2.82 . 0.122 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 C5'-C4'-C3' 111.091 -2.939 . 0.246 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C5'-C4'-C3' 111.227 -2.848 . 0.081 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.646 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.03 -2.98 . 0.027 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.646 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.837 0 O4'-C1'-N19 111.049 2.849 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.587 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.164 0 O4'-C1'-N19 111.903 3.703 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.587 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 C3'-C2'-C1' 104.677 3.53 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.648 HO2' ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 C5'-C4'-C3' 111.309 -2.794 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.479 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.259 0 O4'-C1'-N19 111.092 2.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.57 ' C8 ' HG22 ' A' ' 18' ' ' ILE . . . . . . . . 0 P--O5' 1.614 2.138 0 C5'-C4'-C3' 111.222 -2.852 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.514 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.47 0 O4'-C1'-N19 110.903 2.703 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.505 HO2' " C5'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.183 0 C5'-C4'-C3' 110.923 -3.051 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.505 " C5'" HO2' ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.405 0 C3'-C2'-C1' 104.088 2.875 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.462 " H2'" ' C6 ' ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.898 0 C5'-C4'-C3' 110.956 -3.029 . 0.019 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.462 ' C6 ' " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 C5'-C4'-C3' 111.083 -2.945 . 0.37 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.848 0 C5'-C4'-C3' 111.312 -2.792 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.045 0 C5'-C4'-C3' 111.079 -2.947 . 0.05 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.494 ' N4 ' ' HG3' ' A' ' 34' ' ' PRO . . . . . . . . 0 P--O5' 1.612 1.942 0 C5'-C4'-C3' 111.127 -2.915 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.952 0 O4'-C1'-N19 111.166 2.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.647 " H2'" " O4'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.044 0 C5'-C4'-C3' 111.231 -2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.647 " O4'" " H2'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.067 0 C5'-C4'-C3' 111.251 -2.833 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.416 " H5'" " O2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 O4'-C1'-N19 111.183 2.983 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.978 0 O4'-C1'-N19 111.179 2.979 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mmm . . . . . 0 N--CA 1.502 2.134 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.82 167.42 23.92 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.363 -176.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -149.6 125.51 10.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.474 -0.766 . . . . 0.0 109.601 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.58 -162.42 47.33 Favored Glycine 0 N--CA 1.502 3.057 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.439 ' OD2' ' NZ ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -147.01 154.99 41.88 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.563 -0.963 . . . . 0.0 109.148 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.481 ' HD3' ' OE1' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 62.49 -164.56 0.25 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.263 -0.898 . . . . 0.0 110.134 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 35.7 mmtt -156.74 -64.5 0.1 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.914 -1.116 . . . . 0.0 110.642 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.526 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 60.1 p -139.8 163.68 43.11 Favored Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.105 -0.997 . . . . 0.0 110.396 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 8' ' ' SER . 36.1 Cg_endo -77.79 -158.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.315 -1.203 0 C-N-CA 122.304 2.003 . . . . 0.0 110.007 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.515 ' HB ' ' O ' ' A' ' 9' ' ' PRO . 87.4 mt 69.57 -58.78 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 121.353 -0.842 . . . . 0.0 109.895 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -54.52 -68.35 0.19 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.276 -0.89 . . . . 0.0 109.501 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.481 ' OE1' ' HD3' ' A' ' 6' ' ' LYS . 6.8 mt-30 -54.18 -25.93 25.29 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.257 -0.902 . . . . 0.0 109.701 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.51 HG21 ' CD2' ' A' ' 70' ' ' LEU . 40.9 t -69.41 -39.61 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.895 -1.128 . . . . 0.0 108.086 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.417 ' NE2' HG13 ' A' ' 24' ' ' VAL . 6.7 m-70 -65.56 -44.83 85.57 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' HB3' " O2'" ' B' ' 15' ' ' ' U' . 15.5 mt-10 -61.99 -59.31 5.29 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.189 0.518 . . . . 0.0 110.106 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.419 HG22 HD11 ' A' ' 16' ' ' ILE . 9.7 tt -63.45 -37.64 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.261 -0.899 . . . . 0.0 109.634 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.33 -57.37 20.04 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.414 HG22 HD13 ' A' ' 18' ' ' ILE . 32.3 mm -59.14 -46.75 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.285 -1.126 . . . . 0.0 108.925 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HE2' " O4'" ' B' ' 15' ' ' ' U' . 3.8 tttm -54.35 -32.06 55.92 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.481 -0.762 . . . . 0.0 110.646 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -105.46 23.19 14.18 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.071 -1.018 . . . . 0.0 110.295 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 54.96 36.58 27.17 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.017 -1.052 . . . . 0.0 109.729 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.657 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 9.1 mtt -113.46 109.95 19.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.972 . . . . 0.0 110.067 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 m -70.3 104.95 2.82 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.964 -1.085 . . . . 0.0 109.226 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.417 HG13 ' NE2' ' A' ' 14' ' ' HIS . 7.4 p -68.21 98.86 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 CA-C-O 121.725 0.774 . . . . 0.0 110.28 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.615 ' HB2' HG23 ' A' ' 45' ' ' ILE . 29.8 m-70 -103.25 97.47 7.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.986 -1.072 . . . . 0.0 110.055 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -90.03 119.61 30.52 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.305 -0.872 . . . . 0.0 109.379 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 22.7 tttm -149.8 139.47 21.69 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.864 -1.147 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 93.6 t -80.31 148.0 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.203 -0.936 . . . . 0.0 109.005 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.408 HD13 ' CG2' ' A' ' 41' ' ' ILE . 9.2 mt -81.03 -40.55 24.05 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.131 -0.98 . . . . 0.0 108.767 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.83 116.69 2.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.785 -0.572 . . . . 0.0 109.548 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.498 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 5.4 pt-20 -118.55 -165.45 1.12 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.522 -0.736 . . . . 0.0 110.091 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.632 ' HB3' ' HB3' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -103.12 118.78 37.57 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.127 -0.983 . . . . 0.0 110.214 -179.683 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.0 -156.44 47.55 Favored Glycine 0 N--CA 1.501 3.003 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -78.81 -34.0 1.43 Allowed 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 122.36 2.04 . . . . 0.0 110.904 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.566 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . . . -160.64 38.27 0.16 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.058 -1.026 . . . . 0.0 111.136 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.632 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 16.7 t-160 -78.64 75.96 5.14 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.603 -1.311 . . . . 0.0 109.113 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 59.0 mtm 59.6 86.94 0.09 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.382 -0.824 . . . . 0.0 110.018 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.566 ' HE2' ' HA ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -57.81 107.04 0.41 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.893 -1.129 . . . . 0.0 109.994 179.533 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.451 ' OD1' ' CB ' ' A' ' 61' ' ' SER . 8.7 m-80 -144.76 -161.83 1.37 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.41 -0.806 . . . . 0.0 109.912 -179.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.498 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 4.4 m-85 80.94 -79.01 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.859 -0.525 . . . . 0.0 111.608 177.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' CG2' HD13 ' A' ' 29' ' ' LEU . 3.2 mp -142.28 107.94 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.761 -1.212 . . . . 0.0 110.707 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 1.7 m -104.45 121.7 43.98 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -107.66 135.28 49.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.383 -0.823 . . . . 0.0 109.869 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.483 ' HB3' ' HG3' ' A' ' 69' ' ' MET . 42.5 t -120.99 121.03 37.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.234 -0.916 . . . . 0.0 109.531 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.652 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . 11.5 tt -108.37 145.01 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.138 -0.976 . . . . 0.0 109.911 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.657 ' HB ' ' HB3' ' A' ' 22' ' ' MET . 2.9 m -134.17 111.01 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.56 -0.713 . . . . 0.0 109.483 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.49 -82.35 0.28 Allowed Glycine 0 N--CA 1.5 2.948 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -142.82 16.98 1.97 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.229 -1.159 . . . . 0.0 111.014 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -135.04 138.78 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.931 -1.106 . . . . 0.0 109.042 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.652 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 2.6 p -123.78 156.76 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.84 -1.163 . . . . 0.0 111.056 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' CG2' ' A' ' 50' ' ' VAL . 8.4 m -125.21 98.66 5.74 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 8.0 mt-10 -83.93 141.24 31.4 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.267 -0.896 . . . . 0.0 109.441 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 54' ' ' GLU . . . 176.82 -124.87 0.98 Allowed Glycine 0 N--CA 1.497 2.707 0 C-N-CA 119.502 -1.332 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.574 ' HA ' ' HG3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER 82.73 -148.91 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.032 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.23 -115.71 0.35 Allowed Glycine 0 N--CA 1.499 2.892 0 C-N-CA 119.52 -1.324 . . . . 0.0 111.167 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -132.02 -170.23 2.37 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.985 -1.303 . . . . 0.0 109.829 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.418 ' HA2' ' OD1' ' A' ' 39' ' ' ASN . . . -85.51 -149.77 12.65 Favored Glycine 0 N--CA 1.499 2.846 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.1 tptp 71.73 -56.43 0.64 Allowed 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.472 -1.017 . . . . 0.0 110.602 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.68 44.27 0.45 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.311 -0.868 . . . . 0.0 110.084 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.593 ' O ' ' HB3' ' A' ' 61' ' ' SER . 0.0 OUTLIER -163.11 -168.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 O-C-N 121.378 -0.826 . . . . 0.0 109.144 -179.369 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.593 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER 77.35 121.35 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.867 0.841 . . . . 0.0 110.165 179.753 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 61' ' ' SER . 2.8 ttpm? 77.32 29.26 0.57 Allowed 'General case' 0 N--CA 1.503 2.21 0 CA-C-O 122.251 1.024 . . . . 0.0 108.697 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 14.0 tttm -167.4 -60.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.576 ' HB2' HG12 ' A' ' 60' ' ' VAL . 15.7 tpt180 -44.98 -49.99 10.89 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.224 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.62 -48.63 59.35 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.949 -1.094 . . . . 0.0 110.47 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.63 85.88 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.167 -0.958 . . . . 0.0 110.481 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 49.2 mt-10 -58.54 -50.85 72.27 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.573 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.31 -37.52 77.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.444 -0.785 . . . . 0.0 109.465 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.483 ' HG3' ' HB3' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -64.23 -44.16 92.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.993 -1.067 . . . . 0.0 109.399 179.407 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.51 ' CD2' HG21 ' A' ' 13' ' ' VAL . 32.5 mt -54.77 -53.34 56.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.303 -0.873 . . . . 0.0 110.248 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -61.1 -28.96 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 120.952 -1.092 . . . . 0.0 110.026 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.614 ' HA ' ' NZ ' ' A' ' 75' ' ' LYS . 5.3 mm-40 -78.35 -49.33 13.78 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.679 -1.263 . . . . 0.0 110.176 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 70' ' ' LEU . 1.5 pp -70.87 -22.11 62.33 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.978 -1.076 . . . . 0.0 110.901 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -9.99 59.06 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.941 -1.099 . . . . 0.0 110.824 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.614 ' NZ ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -90.24 -24.88 20.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.978 -1.076 . . . . 0.0 110.135 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 O-C-N 121.479 -0.763 . . . . 0.0 110.302 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.871 " H4'" ' OP1' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C5'-C4'-C3' 111.037 -2.975 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.871 ' OP1' " H4'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 P-O3'-C3' 123.615 3.263 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.293 0 O4'-C1'-N19 111.017 2.817 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 111.181 2.981 . 0.494 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 C5'-C4'-C3' 111.299 -2.801 . 0.116 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 0 C5'-C4'-C3' 111.36 -2.76 . 0.027 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.43 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.051 0 C5'-C4'-C3' 111.251 -2.833 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.478 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.024 0 O4'-C1'-N19 111.071 2.871 . 0.152 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.177 0 C5'-C4'-C3' 111.303 -2.798 . 0.145 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.438 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.131 0 O4'-C1'-N19 111.056 2.856 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.51 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.162 0 O4'-C1'-N19 111.293 3.093 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.506 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.955 0 C5'-C4'-C3' 111.13 -2.914 . 0.275 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.56 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.053 0 C5'-C4'-C3' 111.084 -2.944 . 0.209 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.451 " H5'" HO2' ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C3'-C2'-C1' 104.484 3.316 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.471 " O4'" ' HE2' ' A' ' 19' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.856 0 C5'-C4'-C3' 111.417 -2.722 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.409 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.89 0 C5'-C4'-C3' 111.115 -2.923 . 0.704 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.674 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.997 0 C5'-C4'-C3' 111.021 -2.986 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.589 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.246 0 C5'-C4'-C3' 111.336 -2.776 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.589 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.067 0 C5'-C4'-C3' 111.232 -2.845 . 0.233 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.477 ' N3 ' " H2'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.082 0 C5'-C4'-C3' 111.001 -2.999 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.891 0 C5'-C4'-C3' 111.131 -2.913 . 0.087 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.524 " O2'" ' H8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C5'-C4'-C3' 111.105 -2.93 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.524 ' H8 ' " O2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.001 0 C5'-C4'-C3' 111.06 -2.96 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C5'-C4'-C3' 111.272 -2.819 . 0.182 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.07 0 C5'-C4'-C3' 111.271 -2.82 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.073 0 O4'-C1'-N19 111.084 2.884 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.076 0 O4'-C1'-N19 111.186 2.986 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.067 0 O4'-C1'-N19 110.949 2.749 . 0.216 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.499 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.205 0 C5'-C4'-C3' 111.253 -2.831 . 0.165 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.618 " H1'" ' NE2' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C5'-C4'-C3' 111.203 -2.865 . 0.479 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 121.39 0.614 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.49 162.32 19.93 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.199 0.523 . . . . 0.0 109.992 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -135.94 159.46 41.63 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.479 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . . . -179.49 -110.35 0.28 Allowed Glycine 0 N--CA 1.494 2.548 0 N-CA-C 108.821 -1.712 . . . . 0.0 108.821 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.625 ' HB3' ' HE3' ' A' ' 6' ' ' LYS . 18.8 t70 53.96 178.43 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.895 -0.768 . . . . 0.0 109.883 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.625 ' HE3' ' HB3' ' A' ' 5' ' ' ASP . 0.4 OUTLIER 58.53 53.1 6.39 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.416 -1.427 . . . . 0.0 109.519 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -47.46 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.505 0 O-C-N 121.275 -0.891 . . . . 0.0 110.82 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 p -134.49 85.04 38.53 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.456 -0.778 . . . . 0.0 109.456 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.434 ' O ' HG23 ' A' ' 13' ' ' VAL . 36.5 Cg_endo -77.01 -14.54 16.89 Favored 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 122.733 2.289 . . . . 0.0 112.182 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -130.16 -55.72 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.895 -1.128 . . . . 0.0 110.143 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -69.04 0.15 Allowed 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.599 -0.688 . . . . 0.0 110.489 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.15 -37.55 54.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.317 -0.864 . . . . 0.0 110.594 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 9' ' ' PRO . 58.1 t -58.8 -40.65 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.611 -1.306 . . . . 0.0 108.08 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -70.02 -49.15 54.26 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.731 ' CG ' HO2' ' B' ' 15' ' ' ' U' . 5.4 mt-10 -55.78 -43.19 76.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.602 -0.686 . . . . 0.0 110.672 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -81.24 -39.63 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.837 -1.164 . . . . 0.0 109.101 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.505 ' HA3' HG22 ' A' ' 24' ' ' VAL . . . -57.4 -55.5 30.1 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.414 ' CD1' ' C8 ' ' B' ' 17' ' ' ' G' . 79.6 mt -56.89 -50.01 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.373 -1.075 . . . . 0.0 109.419 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -37.17 83.67 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.286 -0.884 . . . . 0.0 110.628 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -87.34 20.03 2.99 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.88 -1.138 . . . . 0.0 110.921 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.2 34.86 24.54 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.069 -1.019 . . . . 0.0 110.441 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.455 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 14.1 mtp -100.48 138.25 37.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.811 -1.181 . . . . 0.0 109.79 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -57.32 -51.24 70.19 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.442 -0.786 . . . . 0.0 110.46 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.505 HG22 ' HA3' ' A' ' 17' ' ' GLY . 40.2 t 62.95 72.83 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-O 121.729 0.776 . . . . 0.0 109.326 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.634 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 4.6 m-70 -119.77 120.74 37.43 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.776 -1.202 . . . . 0.0 109.831 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -107.1 125.16 50.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.484 -0.76 . . . . 0.0 109.294 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -142.81 129.63 20.5 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.136 -0.977 . . . . 0.0 109.874 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.545 ' CG1' ' HG2' ' A' ' 31' ' ' GLU . 34.8 t -87.08 143.45 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.985 -1.072 . . . . 0.0 108.819 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.475 HD13 HG12 ' A' ' 41' ' ' ILE . 3.2 mt -91.39 -37.27 13.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.242 -0.911 . . . . 0.0 109.646 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.44 128.37 8.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.518 -0.738 . . . . 0.0 109.822 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.545 ' HG2' ' CG1' ' A' ' 28' ' ' VAL . 1.7 mt-10 -122.36 115.73 22.79 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.58 -162.39 0.22 Allowed 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.22 -124.97 0.75 Allowed Glycine 0 N--CA 1.498 2.831 0 O-C-N 120.61 -1.306 . . . . 0.0 109.998 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -77.82 -61.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.309 2.006 . . . . 0.0 110.515 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.87 40.51 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.317 -0.864 . . . . 0.0 110.044 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 176.66 39.91 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.171 -0.956 . . . . 0.0 110.455 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.38 -54.68 2.71 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.903 -1.123 . . . . 0.0 109.834 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' CE ' " H4'" ' B' ' 3' ' ' ' A' . 8.8 ttmt 54.84 25.18 6.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.615 -0.678 . . . . 0.0 111.267 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -126.28 145.55 50.37 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.141 -0.974 . . . . 0.0 109.399 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.5 ' HB2' ' HB2' ' A' ' 61' ' ' SER . 65.2 m-85 -135.19 135.68 41.2 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.185 -0.947 . . . . 0.0 110.004 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.476 ' O ' HG12 ' A' ' 28' ' ' VAL . 1.6 tp -114.11 98.77 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.009 -1.057 . . . . 0.0 109.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.666 HG21 ' HA ' ' A' ' 62' ' ' LYS . 12.6 m -87.83 120.24 28.95 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.263 -0.898 . . . . 0.0 110.515 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -103.02 140.94 36.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 108.555 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.1 p -136.64 135.72 38.53 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.794 -1.192 . . . . 0.0 110.337 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.634 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 17.3 tt -123.01 133.83 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.182 -0.949 . . . . 0.0 109.554 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 38.7 t -129.44 102.55 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.167 -0.958 . . . . 0.0 109.722 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.33 -110.83 3.47 Favored Glycine 0 N--CA 1.498 2.828 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -109.67 20.36 18.2 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.393 -1.063 . . . . 0.0 110.685 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 49' ' ' ILE . 91.9 mt -127.29 134.78 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.882 -1.136 . . . . 0.0 110.048 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.471 HG21 HG13 ' A' ' 45' ' ' ILE . 1.1 t -122.94 145.29 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.165 -0.959 . . . . 0.0 109.248 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.9 m -141.67 135.39 29.84 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.473 -0.767 . . . . 0.0 110.121 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -100.16 142.95 30.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.352 -0.842 . . . . 0.0 109.584 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.17 90.16 0.37 Allowed Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -68.88 74.4 0.29 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.509 -0.995 . . . . 0.0 110.408 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' HA2' ' HB ' ' A' ' 60' ' ' VAL . . . -67.45 77.39 0.19 Allowed Glycine 0 N--CA 1.499 2.862 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 54' ' ' GLU . 10.3 m-80 -58.41 -54.18 49.88 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.534 -0.98 . . . . 0.0 110.515 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.537 ' O ' ' HB2' ' A' ' 58' ' ' LYS . . . -174.99 176.97 47.17 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 119.888 -1.149 . . . . 0.0 110.541 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 22.8 mttp 71.65 64.22 0.15 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.941 -0.741 . . . . 0.0 110.965 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.65 53.2 2.08 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 121.412 -0.805 . . . . 0.0 111.852 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.561 ' O ' ' HB3' ' A' ' 61' ' ' SER . 16.1 m -139.66 179.21 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 120.637 -1.289 . . . . 0.0 110.852 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.561 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 46.0 t 83.61 118.98 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.666 ' HA ' HG21 ' A' ' 42' ' ' THR . 21.2 mttm 80.1 -48.3 0.34 Allowed 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 36.4 tttm -87.35 -56.62 3.28 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.136 -0.977 . . . . 0.0 109.171 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.454 ' HD3' HG13 ' A' ' 60' ' ' VAL . 12.6 ttt-85 -47.61 -45.53 27.68 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.714 -0.616 . . . . 0.0 111.579 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.526 ' HB3' ' HB ' ' A' ' 42' ' ' THR . . . -64.41 -39.21 93.41 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.161 -0.962 . . . . 0.0 110.697 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 9' ' ' PRO . . . -71.45 -49.16 44.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.27 -0.894 . . . . 0.0 109.914 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 34.0 mt-10 -49.78 -54.18 20.65 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.645 -0.659 . . . . 0.0 110.001 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 2.9 tttp -56.8 -45.94 81.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.526 -0.734 . . . . 0.0 109.31 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.1 tpp -49.37 -50.74 38.77 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.036 -1.04 . . . . 0.0 109.789 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.3 mt -66.14 -40.63 90.76 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.14 -0.975 . . . . 0.0 109.847 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.95 -45.74 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.377 -0.827 . . . . 0.0 110.345 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 1.6 mm-40 -72.57 -47.52 47.41 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.232 -0.917 . . . . 0.0 109.296 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 59.6 mt -58.25 -35.5 71.83 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.952 -1.093 . . . . 0.0 110.314 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -81.23 -15.52 55.39 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.919 -1.113 . . . . 0.0 109.887 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.512 ' HB3' ' HE3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -98.59 -35.53 10.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.063 -1.023 . . . . 0.0 109.93 179.492 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 117.684 -1.15 . . . . 0.0 109.992 -179.492 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 0 O4'-C1'-N19 110.932 2.732 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.141 0 C5'-C4'-C3' 111.054 -2.964 . 0.023 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.432 " H4'" ' CE ' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.611 1.847 0 O4'-C1'-N19 111.315 3.115 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.094 0 C5'-C4'-C3' 111.367 -2.755 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.014 0 O4'-C1'-N19 111.013 2.813 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.917 0 O4'-C1'-N19 111.008 2.808 . 0.281 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.482 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.925 0 O4'-C1'-N19 110.947 2.747 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.482 ' C6 ' " H2'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.114 0 C5'-C4'-C3' 111.32 -2.787 . 0.095 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 O4'-C1'-N19 110.896 2.696 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.083 0 C5'-C4'-C3' 111.107 -2.929 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 0 O4'-C1'-N19 111.035 2.835 . 0.133 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.481 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.99 0 C5'-C4'-C3' 111.189 -2.874 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.54 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.974 0 C5'-C4'-C3' 111.149 -2.901 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C3'-C2'-C1' 104.587 3.43 . 0.028 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.731 HO2' ' CG ' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.612 1.94 0 C5'-C4'-C3' 111.346 -2.769 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.456 " H1'" ' N2 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.143 0 C5'-C4'-C3' 111.436 -2.71 . 0.456 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.483 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.053 0 O4'-C1'-N19 111.061 2.861 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.139 0 C5'-C4'-C3' 111.175 -2.883 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.059 0 C5'-C4'-C3' 110.853 -3.098 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.014 0 C5'-C4'-C3' 111.028 -2.981 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.958 0 C5'-C4'-C3' 111.321 -2.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.02 0 C5'-C4'-C3' 111.302 -2.799 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.904 0 C5'-C4'-C3' 111.043 -2.971 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.881 0 O4'-C1'-N19 111.179 2.979 . 0.117 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.07 0 C5'-C4'-C3' 111.318 -2.788 . 0.14 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.153 0 O4'-C1'-N19 111.034 2.834 . 0.039 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.51 " O2'" " H5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.082 0 C5'-C4'-C3' 111.128 -2.914 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.51 " H5'" " O2'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.885 0 C5'-C4'-C3' 111.051 -2.966 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.009 0 C5'-C4'-C3' 111.001 -3.0 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 111.273 3.073 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ttp . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -133.8 -65.81 0.66 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.502 -0.748 . . . . 0.0 110.121 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 118.87 10.53 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.386 -0.821 . . . . 0.0 109.514 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.65 174.05 44.52 Favored Glycine 0 N--CA 1.494 2.549 0 C-N-CA 119.503 -1.332 . . . . 0.0 110.986 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -106.36 -52.42 2.79 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.899 0.857 . . . . 0.0 110.016 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.32 143.67 34.96 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 122.087 0.946 . . . . 0.0 111.397 -178.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.615 ' HE3' " O2'" ' B' ' 19' ' ' ' G' . 2.0 mmtm -93.19 66.49 4.06 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.716 0.77 . . . . 0.0 109.191 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.591 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 29.7 m -55.81 -48.33 96.83 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.252 -0.905 . . . . 0.0 111.01 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.591 ' HD3' ' HB2' ' A' ' 8' ' ' SER . 34.8 Cg_endo -75.74 145.1 28.63 Favored 'Trans proline' 0 C--N 1.318 -1.038 0 C-N-CA 121.656 1.57 . . . . 0.0 110.714 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.494 HG13 ' CB ' ' A' ' 66' ' ' ALA . 3.8 mt 69.67 -60.58 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.737 -0.602 . . . . 0.0 110.209 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.495 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -63.28 -74.95 0.09 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.541 -0.725 . . . . 0.0 110.091 -179.524 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 8' ' ' SER . 3.2 mt-30 -50.5 -35.93 31.55 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.997 -1.064 . . . . 0.0 109.62 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.458 HG22 HD21 ' A' ' 70' ' ' LEU . 98.0 t -62.21 -46.2 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.264 -0.897 . . . . 0.0 108.844 178.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -65.72 -39.7 91.45 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' HG3' ' N2 ' ' B' ' 17' ' ' ' G' . 1.2 mt-10 -61.03 -52.35 65.33 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.885 -0.509 . . . . 0.0 110.643 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 1.4 pp -76.3 -32.25 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.691 -1.255 . . . . 0.0 109.955 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.572 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -64.33 -52.17 46.14 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 107.617 -2.193 . . . . 0.0 107.617 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.599 ' O ' HG21 ' A' ' 18' ' ' ILE . 18.0 mt -93.87 51.78 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -86.41 101.72 13.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.011 -1.68 . . . . 0.0 111.76 -177.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 43.1 mtt85 40.25 39.12 0.62 Allowed 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.668 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 20' ' ' ARG . 1.2 t-20 166.32 -67.94 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.514 0 O-C-N 120.891 -1.131 . . . . 0.0 111.393 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.562 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 3.6 mtm -58.02 165.37 1.89 Allowed 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.785 0.803 . . . . 0.0 111.105 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -123.66 151.57 42.93 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.257 -0.902 . . . . 0.0 109.512 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.572 ' CG2' ' HA3' ' A' ' 17' ' ' GLY . 69.4 t -131.4 124.76 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.329 -0.857 . . . . 0.0 109.578 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.55 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 75.8 m-70 -122.92 125.41 45.27 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.267 -0.896 . . . . 0.0 109.617 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -123.39 108.07 12.31 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.377 -0.827 . . . . 0.0 109.8 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.613 ' HE3' ' HG3' ' A' ' 32' ' ' GLU . 4.7 tttp -132.15 135.37 46.33 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.098 -1.001 . . . . 0.0 110.184 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.596 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 3.5 t -76.21 142.07 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.379 -0.825 . . . . 0.0 109.084 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' A' ' 43' ' ' ALA . 7.7 mt -86.18 -35.32 20.17 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.049 -1.032 . . . . 0.0 108.539 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.83 133.09 49.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.616 -0.678 . . . . 0.0 109.888 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.639 ' HG2' ' HB2' ' A' ' 37' ' ' MET . 0.3 OUTLIER 70.51 -76.31 0.06 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.56 -0.713 . . . . 0.0 111.36 179.245 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.613 ' HG3' ' HE3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER 61.11 -153.28 0.37 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.179 -0.951 . . . . 0.0 109.826 -179.291 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.28 170.43 43.61 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 120.816 -1.177 . . . . 0.0 110.189 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.2 -90.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.613 2.209 . . . . 0.0 110.575 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.04 70.9 10.56 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.135 -0.978 . . . . 0.0 109.584 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.32 -170.7 2.87 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.324 -0.86 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.639 ' HB2' ' HG2' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -57.68 -37.65 73.82 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.774 -1.204 . . . . 0.0 110.201 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' MET . 18.8 tttp 33.74 72.07 0.09 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.641 -0.662 . . . . 0.0 112.132 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.42 ' O ' ' CB ' ' A' ' 40' ' ' PHE . 8.2 m-80 -157.68 -160.41 0.92 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.194 -0.941 . . . . 0.0 109.783 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 24.7 m-85 79.86 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.592 -0.692 . . . . 0.0 111.634 178.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.45 130.5 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.593 -1.317 . . . . 0.0 110.494 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -123.1 133.27 54.3 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.62 -0.675 . . . . 0.0 109.436 179.369 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.48 ' HB3' HD21 ' A' ' 29' ' ' LEU . . . -105.5 120.11 40.81 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 20.5 p -120.92 149.37 42.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.059 -1.026 . . . . 0.0 110.882 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.498 HG21 ' HB2' ' A' ' 25' ' ' HIS . 14.9 tt -131.82 142.24 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.188 -0.945 . . . . 0.0 109.806 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 23' ' ' THR . 95.8 t -135.4 113.59 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.531 -0.73 . . . . 0.0 109.24 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.515 ' HA3' ' SD ' ' A' ' 22' ' ' MET . . . 59.6 -99.74 0.16 Allowed Glycine 0 N--CA 1.502 3.04 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.3 m -122.7 23.96 9.31 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.199 -1.177 . . . . 0.0 110.635 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.402 HD11 HG23 ' A' ' 49' ' ' ILE . 90.2 mt -130.26 137.16 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 120.934 -1.103 . . . . 0.0 109.515 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.41 146.66 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.182 -0.949 . . . . 0.0 108.894 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.626 HG23 ' CA ' ' A' ' 69' ' ' MET . 27.3 m -146.2 125.08 12.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.401 -0.812 . . . . 0.0 110.273 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 43' ' ' ALA . 22.0 mt-10 -111.1 151.02 28.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.967 -1.083 . . . . 0.0 109.721 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 54' ' ' GLU . . . -174.81 -110.85 0.26 Allowed Glycine 0 N--CA 1.5 2.901 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.652 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 1.1 tp10 85.72 -82.9 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.402 0 O-C-N 122.109 -0.642 . . . . 0.0 109.921 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.79 166.87 15.42 Favored Glycine 0 N--CA 1.503 3.141 0 O-C-N 120.789 -1.194 . . . . 0.0 110.213 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -106.61 72.66 0.92 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.946 -1.326 . . . . 0.0 110.043 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.26 134.85 2.16 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 109.309 -1.517 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -37.52 6.8 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.073 -1.251 . . . . 0.0 111.505 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -72.71 -32.11 65.49 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.258 -0.901 . . . . 0.0 110.562 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.0 116.32 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.039 -1.038 . . . . 0.0 109.46 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.624 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 69.5 p -176.93 -104.74 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.439 ' HB3' ' CD1' ' A' ' 10' ' ' ILE . 37.8 mmtt -53.37 -36.78 61.77 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.007 -1.058 . . . . 0.0 109.071 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 13.5 mtpt -67.76 -56.14 10.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.578 -0.702 . . . . 0.0 109.108 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.561 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 8.7 ttt-85 -63.48 -41.21 98.59 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.394 -0.816 . . . . 0.0 110.615 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.58 75.09 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.045 -1.034 . . . . 0.0 109.363 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.494 ' CB ' HG13 ' A' ' 10' ' ' ILE . . . -66.82 -50.89 61.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.347 -0.846 . . . . 0.0 109.762 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -56.02 -48.93 75.02 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.398 -0.814 . . . . 0.0 109.284 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 6.4 tmtt? -52.73 -42.72 65.15 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.303 -0.873 . . . . 0.0 109.515 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.626 ' CA ' HG23 ' A' ' 51' ' ' THR . 3.8 ttt -71.66 -38.33 70.69 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.852 -1.155 . . . . 0.0 109.152 178.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.458 HD21 HG22 ' A' ' 13' ' ' VAL . 24.5 mt -59.67 -50.07 75.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.143 -0.973 . . . . 0.0 108.956 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.455 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 25.2 m -66.42 -22.76 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 120.934 -1.104 . . . . 0.0 110.214 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.73 -53.96 6.59 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.469 ' CD1' ' HG2' ' A' ' 69' ' ' MET . 20.6 mt -62.81 -32.4 73.58 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.68 -0.637 . . . . 0.0 110.73 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -77.77 11.76 2.0 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.826 -1.171 . . . . 0.0 111.245 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -127.77 -7.19 5.6 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.747 -1.221 . . . . 0.0 111.629 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.0 110.07 -179.643 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.434 1.631 0 O4'-C1'-N19 111.237 3.037 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.077 0 C5'-C4'-C3' 111.006 -2.996 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.509 ' H8 ' " O5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.988 0 C5'-C4'-C3' 111.073 -2.951 . 0.206 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 O4'-C1'-N19 111.101 2.901 . 0.379 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.279 0 O4'-C1'-N19 111.041 2.841 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O4'-C1'-N19 111.029 2.829 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.066 0 O4'-C1'-N19 111.072 2.872 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.443 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.256 0 O4'-C1'-N19 111.263 3.063 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.986 0 O4'-C1'-N19 110.925 2.725 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 110.955 2.755 . 0.282 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.511 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.164 0 C5'-C4'-C3' 111.213 -2.858 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.544 ' O2 ' " H2'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.017 0 C5'-C4'-C3' 111.061 -2.96 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.447 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.932 0 O4'-C1'-N19 111.809 3.609 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.512 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C3'-C2'-C1' 104.427 3.253 . 0.194 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.421 HO2' ' CG ' ' A' ' 15' ' ' GLU . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 O4'-C1'-N19 111.142 2.942 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.512 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.948 0 C5'-C4'-C3' 111.049 -2.967 . 0.424 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.704 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.048 0 O4'-C1'-N19 111.293 3.093 . 0.016 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.704 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O4'-C1'-N19 110.996 2.796 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.615 " O2'" ' HE3' ' A' ' 7' ' ' LYS . . . . . . . . 0 P--O5' 1.613 1.96 0 O4'-C1'-N19 110.948 2.748 . 0.185 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.439 HO2' " H5'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 P--O5' 1.616 2.349 0 O4'-C1'-N19 111.271 3.071 . 0.093 1f . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.439 " H5'" HO2' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.156 0 C5'-C4'-C3' 111.329 -2.78 . 0.142 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.445 " O2'" " H5'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.927 0 O4'-C1'-N19 111.134 2.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.445 " H5'" " O2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.952 0 C5'-C4'-C3' 111.376 -2.749 . 0.108 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.099 0 C5'-C4'-C3' 111.283 -2.811 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.843 0 C5'-C4'-C3' 111.236 -2.843 . 0.309 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.08 0 C5'-C4'-C3' 111.119 -2.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.164 0 O4'-C1'-N19 111.106 2.906 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.19 0 O4'-C1'-N19 111.093 2.893 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.422 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.949 0 C5'-C4'-C3' 110.982 -3.012 . 0.099 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.422 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.196 0 C5'-C4'-C3' 110.823 -3.118 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttp . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.32 -76.38 0.25 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -178.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -89.46 -86.29 0.19 Allowed 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.26 83.1 1.65 Allowed Glycine 0 N--CA 1.502 3.053 0 O-C-N 120.806 -1.184 . . . . 0.0 111.17 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -98.19 163.13 12.86 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.334 -1.098 . . . . 0.0 109.646 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt 56.92 22.72 7.44 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.364 -0.835 . . . . 0.0 111.224 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.581 ' C ' ' HD3' ' A' ' 9' ' ' PRO . 11.5 tttt -92.06 44.95 1.19 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.572 -1.33 . . . . 0.0 109.86 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.608 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 54.0 m -118.95 64.31 6.52 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 121.197 -0.939 . . . . 0.0 110.139 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.581 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 36.7 Cg_endo -78.5 -48.59 0.09 OUTLIER 'Trans proline' 0 C--N 1.317 -1.115 0 C-N-CA 122.227 1.952 . . . . 0.0 111.94 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.494 HD13 HG23 ' A' ' 10' ' ' ILE . 64.7 mt -131.57 -67.17 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.748 -1.22 . . . . 0.0 111.013 -178.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 12' ' ' GLN . 66.2 p -42.72 -66.39 0.37 Allowed 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.224 -0.923 . . . . 0.0 110.608 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.608 ' HB3' ' HB3' ' A' ' 8' ' ' SER . 0.0 OUTLIER -52.3 -40.27 61.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.314 -0.866 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.468 ' CG2' ' HG ' ' A' ' 70' ' ' LEU . 40.4 t -59.58 -43.18 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -64.53 -45.17 88.32 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.638 ' HG2' HO2' ' B' ' 15' ' ' ' U' . 28.0 mt-10 -55.04 -50.16 69.79 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.532 -0.73 . . . . 0.0 109.182 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.69 -45.78 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.312 -0.868 . . . . 0.0 109.401 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' HA3' HG23 ' A' ' 24' ' ' VAL . . . -56.24 -53.55 42.03 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.8 -44.91 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.469 -1.018 . . . . 0.0 108.99 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.5 tptt -54.26 -45.6 72.43 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.336 -0.852 . . . . 0.0 109.81 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.65 14.78 14.18 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.904 . . . . 0.0 110.364 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 51.34 38.14 20.8 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.131 -0.98 . . . . 0.0 109.912 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.6 mtt -97.71 134.52 40.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.209 -0.932 . . . . 0.0 110.129 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.508 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -73.74 79.17 1.56 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.041 -1.037 . . . . 0.0 109.014 179.115 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.425 HG23 ' HA3' ' A' ' 17' ' ' GLY . 15.8 t -88.44 97.98 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.517 -0.739 . . . . 0.0 109.32 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.44 ' NE2' HG23 ' A' ' 23' ' ' THR . 11.4 m-70 -132.15 116.46 17.02 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.08 -1.012 . . . . 0.0 109.803 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.638 ' HB3' ' CB ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -130.69 154.82 47.53 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.982 -1.074 . . . . 0.0 110.712 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.98 151.81 6.15 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.448 -0.782 . . . . 0.0 109.868 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.618 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 4.8 m -76.33 150.83 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.033 -1.042 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mt -97.08 -42.8 7.69 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.164 -0.96 . . . . 0.0 109.027 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 tpt85 -149.97 141.21 23.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.532 -0.73 . . . . 0.0 109.41 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.79 155.4 18.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.629 -0.669 . . . . 0.0 109.366 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -54.61 134.32 46.79 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.677 -0.64 . . . . 0.0 110.056 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.06 -68.43 0.96 Allowed Glycine 0 N--CA 1.5 2.925 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' HIS . 36.5 Cg_endo -80.41 129.72 7.67 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.326 2.017 . . . . 0.0 110.04 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.48 78.3 0.07 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.028 . . . . 0.0 109.638 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -140.01 -56.32 0.55 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.984 -1.073 . . . . 0.0 110.086 -179.21 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.519 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 2.0 mtm -90.16 -39.6 12.74 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.122 -0.986 . . . . 0.0 110.152 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.38 55.5 9.38 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.502 -0.749 . . . . 0.0 111.905 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.592 ' HA ' ' HA ' ' A' ' 56' ' ' ASN . 66.1 m-20 -114.33 171.24 7.74 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.142 -0.974 . . . . 0.0 109.668 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.436 ' HB3' ' OE1' ' A' ' 54' ' ' GLU . 22.4 m-85 -133.03 151.19 52.08 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.066 -1.021 . . . . 0.0 110.609 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.2 mp -143.58 105.62 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.426 -0.796 . . . . 0.0 109.048 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.618 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 1.1 m -108.31 124.7 50.73 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.087 -1.008 . . . . 0.0 110.571 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' A' ' 26' ' ' PHE . . . -80.8 122.68 27.48 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.638 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . 19.3 p -123.21 136.27 54.66 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.167 -0.958 . . . . 0.0 111.374 -178.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.6 mt -117.51 134.8 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.575 HG23 ' HB ' ' A' ' 49' ' ' ILE . 5.6 m -133.24 88.3 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-O 121.794 0.806 . . . . 0.0 109.065 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.508 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 49.38 75.02 0.22 Allowed Glycine 0 N--CA 1.501 3.027 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 t 79.17 -43.14 0.31 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.475 -1.015 . . . . 0.0 111.369 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.575 ' HB ' HG23 ' A' ' 46' ' ' VAL . 43.5 mt -71.98 135.52 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.608 -1.308 . . . . 0.0 109.204 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.43 148.26 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 120.826 -1.171 . . . . 0.0 110.718 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.71 157.1 34.52 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 4.3 pt-20 -147.55 159.09 44.14 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.403 -1.435 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 127.2 166.53 12.15 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 61' ' ' SER . 1.5 tt0 -160.43 -163.66 1.13 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.986 -1.302 . . . . 0.0 111.051 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 64' ' ' ARG . . . -93.9 -154.71 31.26 Favored Glycine 0 N--CA 1.5 2.965 0 O-C-N 121.35 -0.844 . . . . 0.0 111.295 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.592 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -115.93 39.18 3.11 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.501 -0.999 . . . . 0.0 110.448 -178.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.63 156.5 13.41 Favored Glycine 0 N--CA 1.502 3.046 0 O-C-N 120.755 -1.216 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.18 -35.01 24.46 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.663 -0.904 . . . . 0.0 111.73 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -74.81 -37.31 62.35 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.998 -1.064 . . . . 0.0 110.245 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.424 HG11 ' O ' ' A' ' 60' ' ' VAL . 3.8 t -94.27 8.74 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.232 -0.917 . . . . 0.0 110.242 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.647 ' OG ' ' N ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -87.71 -106.53 0.07 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.039 -1.038 . . . . 0.0 109.706 -179.023 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.647 ' N ' ' OG ' ' A' ' 61' ' ' SER . 37.8 pttt -45.02 -38.57 4.92 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.816 -1.177 . . . . 0.0 111.126 -179.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.594 ' CE ' ' HG3' ' A' ' 67' ' ' GLU . 1.6 tptm -60.95 -39.07 88.08 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.041 -1.037 . . . . 0.0 109.796 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.427 ' NH1' ' HA2' ' A' ' 55' ' ' GLY . 12.7 ttt-85 -77.23 -46.54 22.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.141 -0.974 . . . . 0.0 110.325 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.29 -47.51 70.4 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.236 -0.915 . . . . 0.0 110.665 -179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.03 -55.23 11.44 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.93 -1.106 . . . . 0.0 111.333 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.594 ' HG3' ' CE ' ' A' ' 63' ' ' LYS . 1.4 mt-10 -55.3 -40.21 70.82 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.838 -1.164 . . . . 0.0 109.915 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -57.84 -47.84 81.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.02 -1.05 . . . . 0.0 108.986 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.408 ' HG2' ' CG1' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -64.11 -47.16 81.08 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.339 -0.85 . . . . 0.0 109.3 178.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -60.55 -38.5 84.71 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.265 -0.897 . . . . 0.0 110.408 179.577 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.24 -50.83 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.182 -0.948 . . . . 0.0 109.624 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -46.4 89.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.247 -0.908 . . . . 0.0 109.316 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.423 HD13 ' CB ' ' A' ' 46' ' ' VAL . 92.9 mt -72.32 -8.74 56.54 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.302 -0.873 . . . . 0.0 110.776 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -15.86 63.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.693 -1.255 . . . . 0.0 110.27 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.52 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -122.33 -5.12 8.84 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.104 -0.998 . . . . 0.0 111.022 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.0 mt . . . . . 0 N--CA 1.49 1.558 0 O-C-N 120.594 -1.316 . . . . 0.0 110.578 -179.146 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.486 " H2'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.82 0 C5'-C4'-C3' 111.183 -2.878 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.486 " O4'" " H2'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.979 0 O4'-C1'-N19 111.009 2.809 . 0.208 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.09 0 C5'-C4'-C3' 111.043 -2.971 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.387 0 O4'-C1'-N19 111.448 3.248 . 0.275 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.293 -2.804 . 0.027 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C3'-C2'-C1' 104.337 3.152 . 0.242 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C5'-C4'-C3' 111.226 -2.849 . 0.081 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.005 0 C5'-C4'-C3' 111.169 -2.887 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.208 0 O4'-C1'-N19 111.152 2.952 . 0.122 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.472 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.166 0 O4'-C1'-N19 111.122 2.922 . 0.339 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.472 ' C6 ' " H2'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.063 0 O4'-C1'-N19 111.044 2.844 . 0.313 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.543 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.067 0 O4'-C1'-N19 111.123 2.923 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.577 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.16 0 C5'-C4'-C3' 111.303 -2.798 . 0.026 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.595 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C3'-C2'-C1' 104.722 3.58 . 0.233 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.638 HO2' ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 O4'--C4' 1.432 -1.785 0 C5'-C4'-C3' 111.445 -2.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.595 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.886 0 C5'-C4'-C3' 111.243 -2.838 . 0.785 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.83 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.084 0 C5'-C4'-C3' 110.953 -3.031 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.83 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.23 0 C5'-C4'-C3' 110.875 -3.083 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.01 0 C5'-C4'-C3' 110.893 -3.071 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.157 0 C5'-C4'-C3' 110.937 -3.042 . 0.027 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.967 0 C5'-C4'-C3' 111.29 -2.807 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.044 0 O4'-C1'-N19 110.987 2.787 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.051 0 C5'-C4'-C3' 111.359 -2.761 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.996 0 C5'-C4'-C3' 111.333 -2.778 . 0.177 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 O4'-C1'-N19 110.964 2.764 . 0.169 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.032 0 C5'-C4'-C3' 111.136 -2.909 . 0.025 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.954 0 O4'-C1'-N19 110.999 2.799 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.621 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.083 0 C5'-C4'-C3' 111.204 -2.864 . 0.012 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.417 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.034 0 C5'-C4'-C3' 111.145 -2.903 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.417 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C5'-C4'-C3' 111.259 -2.827 . 0.228 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.54 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 121.893 0.854 . . . . 0.0 109.087 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.99 38.12 1.91 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 122.063 0.935 . . . . 0.0 109.462 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.54 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 24.2 mp0 -76.56 153.91 34.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 109.813 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.33 -57.24 17.62 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.543 ' C ' ' HG2' ' A' ' 6' ' ' LYS . 3.1 p-10 -98.09 173.39 7.06 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.462 -1.023 . . . . 0.0 109.265 179.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.543 ' HG2' ' C ' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -145.39 89.47 1.94 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.105 -0.997 . . . . 0.0 109.046 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.58 150.84 6.47 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.202 -0.936 . . . . 0.0 110.833 -179.239 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.33 135.18 84.45 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.052 -1.03 . . . . 0.0 109.903 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -78.77 21.06 0.74 Allowed 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 122.617 2.212 . . . . 0.0 112.142 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.0 mt -48.44 -49.2 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 120.948 -1.095 . . . . 0.0 110.061 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 p -53.99 -60.31 3.49 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.377 -0.827 . . . . 0.0 109.45 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -53.54 -41.21 66.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.609 -0.682 . . . . 0.0 110.159 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 42.8 t -59.88 -45.27 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.94 -1.1 . . . . 0.0 108.378 178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -63.81 -44.01 94.54 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' HG2' HO2' ' B' ' 15' ' ' ' U' . 26.5 mt-10 -58.26 -48.23 81.08 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.656 -0.652 . . . . 0.0 109.499 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.418 HG21 HD12 ' A' ' 16' ' ' ILE . 89.3 mt -59.26 -46.61 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.326 -0.859 . . . . 0.0 109.621 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 -48.61 80.26 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.449 HG13 HG23 ' A' ' 24' ' ' VAL . 43.5 mt -62.46 -49.42 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.417 -1.049 . . . . 0.0 109.632 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -54.29 -39.78 67.27 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.358 -0.839 . . . . 0.0 110.197 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' NH2' ' O ' ' A' ' 73' ' ' LEU . 6.3 mtm180 -91.12 18.76 6.45 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.109 -0.994 . . . . 0.0 110.341 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 52.17 38.62 24.92 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.13 -0.981 . . . . 0.0 110.181 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 19.7 mtp -101.64 138.73 38.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.045 -1.034 . . . . 0.0 109.9 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -56.91 110.24 0.78 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.238 -0.914 . . . . 0.0 109.824 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.449 HG23 HG13 ' A' ' 18' ' ' ILE . 41.3 t -81.92 69.37 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.869 -1.144 . . . . 0.0 109.063 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.517 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 10.0 m-70 -85.44 84.94 7.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.93 -1.107 . . . . 0.0 110.339 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -109.87 115.21 29.4 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.251 -0.905 . . . . 0.0 108.749 179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CE ' ' O ' ' A' ' 28' ' ' VAL . 2.2 ttpt -154.58 141.73 19.41 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.861 -1.15 . . . . 0.0 110.765 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.637 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 17.8 t -86.3 142.16 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.927 -1.108 . . . . 0.0 109.343 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.472 HD13 ' HB2' ' A' ' 52' ' ' GLU . 2.3 mt -95.05 -41.45 9.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.252 -0.905 . . . . 0.0 109.952 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -150.38 120.95 7.45 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.392 -0.817 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 8.5 mt-10 -116.77 134.65 54.54 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 6.3 tp10 11.03 96.11 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.776 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.17 -72.76 1.19 Allowed Glycine 0 N--CA 1.504 3.184 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.64 85.48 1.81 Allowed 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 122.532 2.155 . . . . 0.0 109.225 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.427 ' O ' ' ND1' ' A' ' 36' ' ' HIS . . . -36.81 108.38 0.07 Allowed 'General case' 0 N--CA 1.503 2.18 0 CA-C-O 121.417 0.627 . . . . 0.0 111.59 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -176.84 -60.03 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.17 67.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.77 0.795 . . . . 0.0 108.946 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.13 -159.58 0.72 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.97 -1.081 . . . . 0.0 110.464 -178.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -123.74 152.25 42.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.883 -1.136 . . . . 0.0 109.241 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' A' ' 32' ' ' GLU . 6.5 m-85 -103.96 125.41 50.32 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 109.35 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.584 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 55.3 mt -97.67 91.36 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 120.794 -1.191 . . . . 0.0 110.648 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.637 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 55.1 m -95.08 128.74 42.14 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.199 -0.938 . . . . 0.0 108.85 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.611 ' HB3' ' O ' ' A' ' 51' ' ' THR . . . -113.68 168.11 10.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.892 -1.13 . . . . 0.0 111.921 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.734 ' O ' HG11 ' A' ' 50' ' ' VAL . 14.1 m -152.79 159.87 43.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.687 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -170.2 143.71 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.366 -0.833 . . . . 0.0 110.845 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.576 HG23 ' HB ' ' A' ' 49' ' ' ILE . 3.7 m -134.64 95.14 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.69 -86.8 0.16 Allowed Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 p -131.47 25.95 4.78 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.269 -1.136 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.576 ' HB ' HG23 ' A' ' 46' ' ' VAL . 53.2 mt -124.89 150.29 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 120.915 -1.116 . . . . 0.0 109.685 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.734 HG11 ' O ' ' A' ' 44' ' ' CYS . 17.1 t 71.33 179.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.891 -0.506 . . . . 0.0 109.646 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.611 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 2.6 p -169.65 -77.65 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.594 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -151.94 171.44 17.8 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.187 -0.946 . . . . 0.0 110.943 179.619 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.57 107.46 0.33 Allowed Glycine 0 N--CA 1.5 2.935 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.584 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 2.5 mp0 -74.26 69.62 1.59 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.273 -1.133 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -53.77 127.15 37.09 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.503 ' O ' HG21 ' A' ' 60' ' ' VAL . 1.4 t-20 -58.64 150.75 22.39 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.446 -1.032 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.74 -15.58 81.21 Favored Glycine 0 N--CA 1.504 3.202 0 O-C-N 121.22 -0.925 . . . . 0.0 110.943 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -65.28 -36.19 83.32 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.085 -1.244 . . . . 0.0 110.707 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 pttp 177.0 54.73 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.283 -0.885 . . . . 0.0 110.108 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -156.39 -179.59 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.244 0 O-C-N 121.102 -0.999 . . . . 0.0 109.363 -179.663 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 1.1 t 90.0 125.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 122.142 0.973 . . . . 0.0 109.344 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.467 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.0 OUTLIER 80.37 -58.46 0.32 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -177.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -69.26 -53.04 21.8 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HB2' ' CG1' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -64.29 -42.44 96.4 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.948 -0.47 . . . . 0.0 110.355 179.267 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -56.03 -44.59 78.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.127 -0.983 . . . . 0.0 108.489 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.73 -43.77 68.23 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -48.56 -51.81 25.86 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.545 -0.722 . . . . 0.0 109.295 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' HA ' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -63.56 -51.39 65.61 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.319 -0.863 . . . . 0.0 109.031 179.002 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.472 ' HG2' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -48.74 -41.94 33.77 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.265 -0.897 . . . . 0.0 110.185 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.0 mt -67.98 -54.93 14.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.203 -0.936 . . . . 0.0 110.305 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.487 HG23 ' HA ' ' A' ' 68' ' ' LYS . 35.1 m -57.6 -34.06 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.842 -1.161 . . . . 0.0 109.537 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 68' ' ' LYS . 1.6 mt-10 -71.98 -51.79 20.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.044 -1.035 . . . . 0.0 108.795 178.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.491 ' O ' ' NH2' ' A' ' 20' ' ' ARG . 41.9 mt -64.01 -22.91 67.13 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 109.918 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -86.68 -17.11 34.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.87 -1.144 . . . . 0.0 109.695 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -103.17 -16.41 15.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.407 -0.808 . . . . 0.0 109.758 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.916 -179.48 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 0 C5'-C4'-C3' 111.114 -2.924 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.016 0 C5'-C4'-C3' 111.189 -2.874 . 0.014 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.546 " O2'" ' HB3' ' A' ' 32' ' ' GLU . . . . . . . . 0 O4'--C1' 1.438 2.039 0 C5'-C4'-C3' 111.172 -2.886 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.065 0 C5'-C4'-C3' 110.988 -3.008 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.972 0 C5'-C4'-C3' 111.05 -2.967 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.9 0 O4'-C1'-N19 110.972 2.772 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.031 0 C5'-C4'-C3' 111.286 -2.81 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.159 0 C5'-C4'-C3' 111.176 -2.883 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 O4'-C1'-N19 110.965 2.765 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.936 0 C5'-C4'-C3' 111.158 -2.895 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.496 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.137 0 O4'-C1'-N19 111.114 2.914 . 0.072 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.108 0 O4'-C1'-N19 111.029 2.829 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.579 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.919 0 C5'-C4'-C3' 111.001 -3.0 . 0.157 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.577 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C5'-C4'-C3' 110.696 -3.203 . 0.261 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.493 HO2' ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 O4'--C1' 1.436 1.844 0 O4'-C1'-N19 110.945 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.577 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.128 0 C5'-C4'-C3' 111.444 -2.704 . 0.32 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.944 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.033 0 O4'-C1'-N19 111.233 3.033 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.944 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.138 0 C5'-C4'-C3' 111.275 -2.817 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.53 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.081 0 C5'-C4'-C3' 111.07 -2.953 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.404 " H2'" ' N3 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.427 0 O4'-C1'-N19 111.015 2.815 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.074 0 C5'-C4'-C3' 111.099 -2.934 . 0.014 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.511 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.231 -2.846 . 0.105 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.029 0 C5'-C4'-C3' 111.11 -2.927 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.998 0 O4'-C1'-N19 110.968 2.768 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.141 2.941 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.103 0 O4'-C1'-N19 111.015 2.815 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.934 0 C5'-C4'-C3' 111.176 -2.882 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.424 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.965 0 O4'-C1'-N19 111.17 2.97 . 0.167 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.504 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.144 0 O4'-C1'-N19 111.062 2.862 . 0.275 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.504 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C5'-C4'-C3' 111.142 -2.905 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.28 20.54 3.7 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.764 0.792 . . . . 0.0 108.987 -178.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.2 66.0 1.64 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.163 -0.96 . . . . 0.0 110.381 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.46 128.2 0.93 Allowed Glycine 0 N--CA 1.5 2.936 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 2.0 p-10 -108.79 -154.64 0.54 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.331 -1.1 . . . . 0.0 110.136 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 1.6 tttt 173.72 -39.41 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.364 -0.835 . . . . 0.0 109.418 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.495 ' C ' ' HD3' ' A' ' 9' ' ' PRO . 3.1 mptt -98.93 95.13 6.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.239 -0.913 . . . . 0.0 109.149 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 4.3 p -112.99 73.17 1.55 Allowed Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 121.24 -0.913 . . . . 0.0 110.497 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.495 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 34.0 Cg_endo -74.04 -65.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 122.219 1.946 . . . . 0.0 110.32 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.407 HG23 HD11 ' A' ' 10' ' ' ILE . 46.0 mm -62.77 -42.2 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.014 -1.053 . . . . 0.0 109.174 179.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -62.02 1.93 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.308 -0.87 . . . . 0.0 109.689 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.42 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 22.8 mt-30 -53.56 -41.98 67.07 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.406 -0.809 . . . . 0.0 110.116 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.567 HG23 HD11 ' A' ' 70' ' ' LEU . 74.0 t -58.33 -41.11 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 120.872 -1.143 . . . . 0.0 108.201 178.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.506 ' HB3' ' N3 ' ' B' ' 16' ' ' ' C' . 9.8 m-70 -69.39 -41.66 76.18 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.602 ' CG ' HO2' ' B' ' 15' ' ' ' U' . 3.4 mt-10 -56.86 -43.32 81.08 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.711 -0.618 . . . . 0.0 109.948 179.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.4 pp -83.43 -28.86 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.925 -1.109 . . . . 0.0 110.161 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.503 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -72.97 -55.53 6.33 Favored Glycine 0 N--CA 1.499 2.885 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.509 HD13 HG23 ' A' ' 18' ' ' ILE . 47.6 mm -76.32 63.8 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 CA-C-O 122.252 1.025 . . . . 0.0 108.331 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' NZ ' " H1'" ' B' ' 15' ' ' ' U' . 0.1 OUTLIER -171.4 -49.57 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -0.904 . . . . 0.0 109.113 -179.075 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.09 34.22 2.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.302 -0.874 . . . . 0.0 109.672 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t30 50.72 49.13 21.56 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.273 -0.892 . . . . 0.0 110.182 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.558 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 11.7 mtp -116.69 115.9 26.52 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.03 -1.044 . . . . 0.0 110.05 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.505 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -75.12 95.35 3.07 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.246 -0.909 . . . . 0.0 109.836 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.493 HG13 HG13 ' A' ' 13' ' ' VAL . 94.5 t -82.93 107.65 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.313 -0.867 . . . . 0.0 109.749 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.514 ' HB2' HG22 ' A' ' 45' ' ' ILE . 8.2 m-70 -130.24 108.99 10.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.99 -1.069 . . . . 0.0 109.791 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.433 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 75.2 m-85 -79.75 161.96 25.42 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.144 -0.973 . . . . 0.0 110.129 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -159.5 149.41 18.69 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.198 -0.939 . . . . 0.0 110.176 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -114.8 128.35 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.018 -1.051 . . . . 0.0 108.593 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.8 mt -78.82 -58.9 3.01 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.137 -0.977 . . . . 0.0 109.571 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.51 163.08 3.56 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.408 -0.808 . . . . 0.0 110.421 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -109.99 144.98 37.75 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.59 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -138.8 155.88 47.8 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.067 -1.02 . . . . 0.0 110.165 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.97 176.33 14.48 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -76.81 170.52 19.69 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.561 2.174 . . . . 0.0 110.964 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.33 59.63 0.58 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.923 -1.111 . . . . 0.0 110.018 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.601 ' CE1' ' H22' ' B' ' 1' ' ' ' G' . 4.3 m-70 -150.07 -59.4 0.19 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.3 -0.875 . . . . 0.0 109.019 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 58.0 tpp -144.75 88.39 1.91 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -85.49 147.38 26.49 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.414 -0.804 . . . . 0.0 110.908 -178.692 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -78.98 135.87 37.05 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.356 -0.84 . . . . 0.0 109.194 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -117.29 106.28 13.1 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.046 -1.034 . . . . 0.0 110.805 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 tp -88.43 122.05 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.155 -0.966 . . . . 0.0 109.771 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.409 ' HB ' ' HB1' ' A' ' 65' ' ' ALA . 60.9 m -113.66 123.73 50.62 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.162 -0.961 . . . . 0.0 110.316 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.33 118.41 32.82 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.154 -0.966 . . . . 0.0 109.672 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.405 ' SG ' ' HD1' ' A' ' 26' ' ' PHE . 39.6 m -103.01 137.4 41.25 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.994 -1.066 . . . . 0.0 110.458 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.56 HG13 HG21 ' A' ' 50' ' ' VAL . 10.8 tt -123.36 138.44 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.299 -0.875 . . . . 0.0 108.942 178.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.558 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 87.9 t -136.8 101.66 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.377 -0.827 . . . . 0.0 109.59 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.505 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 67.44 -99.67 0.54 Allowed Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.7 p -119.54 26.68 9.23 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.378 -1.072 . . . . 0.0 110.454 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.7 mp -133.67 147.62 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.937 -1.102 . . . . 0.0 109.992 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.56 HG21 HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -134.31 143.95 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.202 -0.936 . . . . 0.0 109.35 179.284 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.641 ' HB ' ' HG2' ' A' ' 69' ' ' MET . 73.5 m -145.42 130.71 18.57 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.556 -0.715 . . . . 0.0 109.661 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -88.54 144.65 26.2 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.284 -0.885 . . . . 0.0 110.695 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.649 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -127.56 104.96 0.71 Allowed Glycine 0 N--CA 1.497 2.714 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -78.16 86.37 4.3 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.393 -1.063 . . . . 0.0 110.877 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.661 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -71.24 117.81 6.98 Favored Glycine 0 N--CA 1.506 3.322 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -96.02 60.79 2.08 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.118 -1.225 . . . . 0.0 110.865 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 62.21 -148.74 48.35 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt 43.83 41.61 3.9 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.459 -1.024 . . . . 0.0 111.041 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 mttt 64.16 25.98 13.78 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.107 -0.996 . . . . 0.0 110.809 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.552 ' O ' ' HB3' ' A' ' 61' ' ' SER . 2.2 t -110.41 147.57 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.069 -1.019 . . . . 0.0 108.995 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.661 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 57.9 p 153.16 -88.6 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.624 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -57.99 -37.63 74.6 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -65.71 -71.55 0.19 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.447 ' HB2' ' CG1' ' A' ' 60' ' ' VAL . 3.9 ttt180 -41.92 -38.51 1.59 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.41 -0.806 . . . . 0.0 110.801 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.649 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . . . -72.0 -46.19 58.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.373 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.46 -48.49 69.76 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.29 -0.881 . . . . 0.0 109.384 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.08 -48.03 61.71 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.633 -0.667 . . . . 0.0 109.46 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HB3' HG21 ' A' ' 51' ' ' THR . 1.1 mmmt -57.18 -52.62 64.58 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.404 -0.81 . . . . 0.0 108.92 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.641 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -56.11 -50.32 71.39 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.472 -0.767 . . . . 0.0 109.897 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.567 HD11 HG23 ' A' ' 13' ' ' VAL . 65.7 mt -57.35 -52.55 64.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.387 -0.821 . . . . 0.0 109.243 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.4 t -55.74 -42.86 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.55 -0.719 . . . . 0.0 109.514 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -59.13 -62.43 1.89 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.388 -0.82 . . . . 0.0 111.066 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.13 -33.77 70.41 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.815 -1.178 . . . . 0.0 111.527 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 30.0 mt-30 -71.91 -16.53 62.12 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.587 -1.321 . . . . 0.0 109.623 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.499 ' HZ3' ' C ' ' A' ' 76' ' ' LEU . 4.8 tptp -93.05 -57.62 2.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.274 -0.891 . . . . 0.0 109.235 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.499 ' C ' ' HZ3' ' A' ' 75' ' ' LYS . 5.0 mt . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 119.345 -0.36 . . . . 0.0 111.195 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.601 ' H22' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C5'-C4'-C3' 111.364 -2.757 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.041 0 O4'-C1'-N19 111.231 3.031 . 0.119 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.325 0 C5'-C4'-C3' 110.873 -3.085 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.079 0 O4'-C1'-N19 111.207 3.007 . 0.06 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.415 ' N1 ' ' N3 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C5'-C4'-C3' 111.204 -2.864 . 0.394 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.116 0 C5'-C4'-C3' 111.292 -2.805 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.422 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.952 0 C5'-C4'-C3' 111.099 -2.934 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.463 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.978 0 C5'-C4'-C3' 111.3 -2.8 . 0.25 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.013 0 C5'-C4'-C3' 111.218 -2.855 . 0.049 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.455 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.071 0 O4'-C1'-N19 111.081 2.881 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.426 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.091 0 O4'-C1'-N19 111.131 2.931 . 0.115 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.499 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.135 0 O4'-C1'-N19 111.032 2.832 . 0.054 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.473 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.982 0 C5'-C4'-C3' 111.125 -2.917 . 0.198 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.847 " O2'" ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 C3'-C2'-C1' 104.389 3.21 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.602 HO2' ' CG ' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.613 2.032 0 O4'-C1'-N19 111.408 3.208 . 0.071 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.847 ' H5 ' " O2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.914 0 C5'-C4'-C3' 111.326 -2.782 . 0.054 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.529 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 O4'-C1'-N19 111.077 2.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.62 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.962 0 C5'-C4'-C3' 111.12 -2.92 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.62 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.127 0 C5'-C4'-C3' 111.215 -2.856 . 0.105 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.199 0 C5'-C4'-C3' 110.933 -3.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.009 0 C5'-C4'-C3' 111.223 -2.852 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.034 0 O4'-C1'-N19 111.077 2.877 . 0.185 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.423 " H2'" ' C8 ' ' B' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.012 0 C5'-C4'-C3' 111.268 -2.821 . 0.33 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . 0.423 ' C8 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.082 0 O4'-C1'-N19 111.079 2.879 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.502 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.95 0 O4'-C1'-N19 111.04 2.84 . 0.414 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.502 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 C5'-C4'-C3' 111.324 -2.784 . 0.407 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.941 0 O4'-C1'-N19 110.954 2.754 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.945 0 C5'-C4'-C3' 111.345 -2.77 . 0.305 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 C5'-C4'-C3' 111.255 -2.83 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C3'-C2'-C1' 104.211 3.012 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 2' ' ' ASP . 24.0 ttm . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 1' ' ' MET . 4.0 m-20 34.73 -119.96 0.1 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 122.313 -0.242 . . . . 0.0 110.749 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.58 76.16 0.18 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.095 -1.003 . . . . 0.0 109.795 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.95 41.28 2.21 Favored Glycine 0 N--CA 1.502 3.057 0 O-C-N 120.641 -1.287 . . . . 0.0 111.063 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.507 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 29.3 t70 -60.96 143.76 54.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.288 -1.125 . . . . 0.0 110.268 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.507 ' NZ ' ' O ' ' A' ' 5' ' ' ASP . 0.7 OUTLIER -158.29 36.89 0.24 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.416 -0.802 . . . . 0.0 109.588 -179.676 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 147.08 23.87 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.185 -0.947 . . . . 0.0 110.198 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.56 ' OG ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 175.67 -55.78 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.227 -0.921 . . . . 0.0 110.709 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.596 ' HA ' HG21 ' A' ' 13' ' ' VAL . 32.3 Cg_endo -71.72 0.64 6.71 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.334 2.023 . . . . 0.0 112.36 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -115.55 -67.68 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.634 -1.291 . . . . 0.0 109.407 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 p -63.87 -73.73 0.11 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.96 -1.087 . . . . 0.0 110.127 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.76 -43.98 6.41 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.547 -0.721 . . . . 0.0 110.977 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.657 ' CG2' ' HG ' ' A' ' 70' ' ' LEU . 90.1 t -59.68 -52.34 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.935 -1.103 . . . . 0.0 108.955 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.552 ' HB3' ' N7 ' ' B' ' 17' ' ' ' G' . 12.8 m-70 -59.8 -39.47 85.08 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.93 -51.91 67.7 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.6 mt -58.95 -40.2 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.827 . . . . 0.0 108.857 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.26 -45.36 83.13 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 108.589 -1.805 . . . . 0.0 108.589 178.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 18' ' ' ILE . 41.9 mm -94.47 49.31 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-O 122.112 0.958 . . . . 0.0 108.502 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -153.94 -58.33 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.84 -1.162 . . . . 0.0 109.511 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.64 32.51 1.22 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.204 -0.935 . . . . 0.0 109.462 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 50.26 38.05 16.55 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.471 -0.768 . . . . 0.0 110.046 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.2 mtt -93.54 -26.68 17.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.281 -0.887 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.505 ' O ' HG21 ' A' ' 45' ' ' ILE . 0.2 OUTLIER 50.17 56.7 7.52 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.144 -0.973 . . . . 0.0 109.585 -179.779 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 45' ' ' ILE . 13.7 p -70.13 116.1 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.364 -0.835 . . . . 0.0 110.694 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.634 ' HB2' ' HB ' ' A' ' 45' ' ' ILE . 94.4 m-70 -122.45 119.18 30.22 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.236 -0.915 . . . . 0.0 109.504 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.415 ' CE1' ' HA ' ' A' ' 66' ' ' ALA . 71.7 m-85 -98.55 125.37 43.77 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.287 -0.883 . . . . 0.0 110.201 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -148.21 155.86 41.87 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -0.931 . . . . 0.0 110.256 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.6 p -98.18 157.18 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.178 -0.951 . . . . 0.0 109.479 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 30' ' ' ARG . 7.1 mt -102.9 -62.38 1.28 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.152 -0.968 . . . . 0.0 109.377 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 6.4 ptp85 167.5 155.79 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 173.76 6.17 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.293 -0.879 . . . . 0.0 110.106 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.654 ' HB2' ' HD2' ' A' ' 38' ' ' LYS . 7.4 mt-10 -77.91 53.14 1.12 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.068 -1.02 . . . . 0.0 109.294 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.36 105.97 0.19 Allowed Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -71.86 54.6 2.11 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.238 1.959 . . . . 0.0 111.271 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.57 ' HA ' ' N3 ' ' B' ' 3' ' ' ' A' . . . -153.13 16.61 0.55 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.134 -0.979 . . . . 0.0 110.764 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.445 ' HE1' " H1'" ' B' ' 30' ' ' ' C' . 0.1 OUTLIER -156.06 58.5 0.59 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.513 -1.367 . . . . 0.0 111.454 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 ttt 38.73 82.59 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 CA-C-O 121.626 0.727 . . . . 0.0 111.387 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.654 ' HD2' ' HB2' ' A' ' 32' ' ' GLU . 13.2 mmtm -124.04 158.52 31.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.892 -1.13 . . . . 0.0 111.185 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -83.16 170.28 14.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.58 -0.7 . . . . 0.0 109.546 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -121.36 147.62 45.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 110.012 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.472 ' CG2' ' HA2' ' A' ' 53' ' ' GLY . 22.6 mm -126.44 123.23 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.449 -0.782 . . . . 0.0 109.24 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.468 ' HB ' ' HB1' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -95.06 159.03 15.21 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.22 -0.925 . . . . 0.0 110.007 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.634 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . . . -133.8 136.01 44.22 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.999 -1.063 . . . . 0.0 109.767 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.505 ' HB3' ' HE2' ' A' ' 69' ' ' MET . 34.2 t -131.19 145.05 51.79 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.995 -1.066 . . . . 0.0 110.378 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.634 ' HB ' ' HB2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -98.39 126.88 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.321 -0.862 . . . . 0.0 109.107 179.433 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.588 ' HB ' ' CE ' ' A' ' 69' ' ' MET . 14.1 p -123.59 112.77 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.486 -0.759 . . . . 0.0 109.493 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -7.21 75.39 0.0 OUTLIER Glycine 1 N--CA 1.517 4.082 0 C-N-CA 123.432 0.539 . . . . 0.0 112.973 -179.352 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 m 157.08 -63.51 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 O-C-N 122.034 -0.686 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.447 HG13 ' C ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -153.3 -169.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.366 -0.834 . . . . 0.0 109.375 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.7 t -99.96 150.97 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.028 -1.045 . . . . 0.0 109.415 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.616 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -166.95 140.51 3.73 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.342 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.634 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . 5.9 tp10 171.23 -128.03 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.902 -0.499 . . . . 0.0 110.088 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 41' ' ' ILE . . . 116.95 -139.85 15.45 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 56.66 173.56 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.878 0.847 . . . . 0.0 111.188 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.29 82.53 0.45 Allowed Glycine 0 N--CA 1.5 2.92 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -1.92 11.11 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.263 -1.14 . . . . 0.0 111.84 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.17 -47.53 3.78 Favored Glycine 0 N--CA 1.503 3.122 0 O-C-N 120.624 -1.298 . . . . 0.0 110.514 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.23 71.55 0.18 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.149 -1.207 . . . . 0.0 110.24 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.8 tttt 61.21 21.98 12.37 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.504 -0.747 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 61' ' ' SER . 3.1 t -115.27 144.21 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 120.683 -1.261 . . . . 0.0 109.868 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 6.0 t 155.86 -87.94 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.3 tttt -46.76 -40.22 13.14 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.523 -0.735 . . . . 0.0 110.08 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HB3' ' HE2' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -72.44 -78.23 0.09 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.387 -0.82 . . . . 0.0 109.451 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -39.25 -41.57 0.89 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.505 -0.747 . . . . 0.0 111.051 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.468 ' HB1' ' HB ' ' A' ' 42' ' ' THR . . . -59.75 -66.34 0.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.387 -0.821 . . . . 0.0 108.988 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.415 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -51.24 -45.26 61.93 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.166 -0.959 . . . . 0.0 110.023 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.466 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -52.33 -53.12 48.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.434 -0.791 . . . . 0.0 109.376 179.289 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.475 ' O ' HG13 ' A' ' 71' ' ' VAL . 2.5 tttt -67.08 -50.48 61.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.48 -0.763 . . . . 0.0 110.402 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.588 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -52.62 -54.69 29.68 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.285 -0.884 . . . . 0.0 110.536 -179.254 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.657 ' HG ' ' CG2' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -72.11 -41.17 67.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.909 -1.119 . . . . 0.0 111.584 -178.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 68' ' ' LYS . 0.8 OUTLIER -52.94 -29.57 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 120.415 -1.428 . . . . 0.0 109.375 179.648 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.84 -50.84 5.52 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.18 -0.95 . . . . 0.0 109.401 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.479 ' CD1' ' SD ' ' A' ' 69' ' ' MET . 37.7 mt -65.7 -17.22 64.45 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.277 -0.889 . . . . 0.0 111.704 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -76.91 10.02 2.54 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.626 -1.296 . . . . 0.0 110.37 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -118.35 -43.9 2.7 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.075 -1.016 . . . . 0.0 110.879 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.949 -178.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 C5'-C4'-C3' 111.433 -2.711 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.41 " O2'" " H5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.175 0 O4'-C1'-N19 111.075 2.875 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.57 ' N3 ' ' HA ' ' A' ' 35' ' ' ALA . . . . . . . . 0 O4'--C1' 1.437 1.917 0 O4'-C1'-N19 111.266 3.066 . 0.272 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.51 ' C6 ' " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.105 0 O4'-C1'-N19 111.122 2.922 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.104 0 O4'-C1'-N19 111.081 2.881 . 0.161 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . 0.494 " H2'" ' C6 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.117 0 O4'-C1'-N19 111.018 2.818 . 0.505 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.494 ' C6 ' " H2'" ' B' ' 6' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.241 0 O4'-C1'-N19 111.198 2.998 . 0.275 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.447 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.012 0 C5'-C4'-C3' 111.189 -2.874 . 0.295 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.017 0 C5'-C4'-C3' 111.307 -2.796 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.43 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.857 0 C5'-C4'-C3' 111.218 -2.854 . 0.261 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.753 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.119 0 O4'-C1'-N19 111.043 2.843 . 0.033 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.753 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.846 0 O4'-C1'-N19 111.001 2.801 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.507 HO2' " C4'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.972 0 O4'-C1'-N19 111.817 3.617 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.517 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 C3'-C2'-C1' 105.012 3.903 . 0.098 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.43 ' H6 ' " O5'" ' B' ' 15' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C5'-C4'-C3' 111.276 -2.816 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.517 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.234 0 O4'-C1'-N19 111.185 2.985 . 0.099 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.841 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.008 0 C5'-C4'-C3' 110.963 -3.025 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.841 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.939 0 C5'-C4'-C3' 111.211 -2.859 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.098 0 O4'-C1'-N19 111.277 3.077 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.05 0 C5'-C4'-C3' 110.903 -3.064 . 0.078 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.814 0 C5'-C4'-C3' 111.189 -2.874 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.005 0 C5'-C4'-C3' 111.309 -2.794 . 0.127 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.034 0 C5'-C4'-C3' 111.423 -2.718 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . 0.479 " H2'" ' C6 ' ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.96 0 C5'-C4'-C3' 111.25 -2.833 . 0.45 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.479 ' C6 ' " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C5'-C4'-C3' 111.298 -2.801 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.443 ' C5 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.098 0 C5'-C4'-C3' 111.395 -2.737 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.413 " C4'" HO2' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.039 0 C5'-C4'-C3' 111.279 -2.814 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.061 0 C5'-C4'-C3' 110.995 -3.004 . 0.275 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.873 0 C5'-C4'-C3' 110.958 -3.028 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.445 " H1'" ' HE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C5'-C4'-C3' 111.037 -2.975 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.435 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 3.6 mtp . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 120.794 0.331 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.23 50.96 1.93 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.92 0.867 . . . . 0.0 108.917 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.435 ' OE1' ' N ' ' A' ' 1' ' ' MET . 1.1 mp0 -66.15 83.04 0.08 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.325 -0.859 . . . . 0.0 110.767 -178.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.62 58.76 2.95 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.528 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -76.55 76.18 3.25 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.268 -1.136 . . . . 0.0 109.042 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.528 ' NZ ' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 171.42 141.2 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.121 -1.612 . . . . 0.0 109.94 -179.108 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER 69.2 -162.95 0.18 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.617 -0.677 . . . . 0.0 109.254 -179.386 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.08 88.3 0.1 Allowed Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 121.111 -0.993 . . . . 0.0 110.346 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.52 ' HB2' ' CB ' ' A' ' 66' ' ' ALA . 36.0 Cg_endo -77.4 58.15 6.19 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.421 2.081 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.411 HG22 HD12 ' A' ' 10' ' ' ILE . 35.2 mm -136.6 -69.23 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.948 -1.095 . . . . 0.0 109.745 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.01 -61.37 2.36 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.223 -0.923 . . . . 0.0 109.875 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -52.49 -33.89 46.8 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.78 -0.575 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.566 HG21 ' HG ' ' A' ' 70' ' ' LEU . 44.8 t -63.1 -47.25 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.843 -1.16 . . . . 0.0 108.388 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -67.0 -38.52 86.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.88 -46.04 91.14 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.355 -0.841 . . . . 0.0 109.211 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -48.43 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.31 -0.869 . . . . 0.0 108.82 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.99 72.52 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.493 HG22 ' C4 ' ' B' ' 17' ' ' ' G' . 60.5 mt -58.71 -41.73 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.326 -1.102 . . . . 0.0 109.101 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.578 ' HE3' ' N7 ' ' B' ' 17' ' ' ' G' . 0.0 OUTLIER -45.89 -45.85 15.54 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.672 -0.643 . . . . 0.0 110.586 179.575 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -106.73 18.59 21.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.11 -0.994 . . . . 0.0 110.276 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.24 51.84 5.3 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.887 0.851 . . . . 0.0 109.389 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.54 ' HG2' ' HA3' ' A' ' 47' ' ' GLY . 27.7 mtt -124.64 119.36 28.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.37 -0.832 . . . . 0.0 110.066 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.66 135.4 52.76 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.201 -0.937 . . . . 0.0 109.8 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.496 HG12 HG13 ' A' ' 13' ' ' VAL . 58.8 t -108.37 111.38 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.507 -0.746 . . . . 0.0 109.684 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.539 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 11.3 m-70 -132.25 112.86 12.6 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.918 -1.114 . . . . 0.0 110.448 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 44' ' ' CYS . 89.3 m-85 -85.47 173.13 10.47 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.137 -0.977 . . . . 0.0 110.663 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' HB3' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 178.53 145.12 0.13 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.652 -0.655 . . . . 0.0 109.458 179.752 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.694 ' HB ' ' CG ' ' A' ' 32' ' ' GLU . 59.2 t -89.41 -2.77 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 O-C-N 120.746 -1.221 . . . . 0.0 110.812 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.574 ' HG ' ' C ' ' A' ' 28' ' ' VAL . 5.5 mt 73.7 -37.9 0.39 Allowed 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.344 -0.848 . . . . 0.0 110.433 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' H ' ' C ' ' A' ' 28' ' ' VAL . 3.5 ttp180 -159.27 174.53 14.65 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.544 -0.722 . . . . 0.0 110.269 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 3.1 mm-40 66.49 -103.88 0.09 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.913 -0.492 . . . . 0.0 109.942 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.694 ' CG ' ' HB ' ' A' ' 28' ' ' VAL . 41.1 mt-10 59.81 -175.03 0.1 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.187 -0.945 . . . . 0.0 110.049 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.567 ' HA3' ' HB3' ' A' ' 37' ' ' MET . . . 178.53 153.81 11.89 Favored Glycine 0 N--CA 1.499 2.84 0 O-C-N 120.632 -1.292 . . . . 0.0 110.305 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . 36.0 Cg_endo -76.17 -73.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.609 2.206 . . . . 0.0 110.727 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.51 ' O ' " H1'" ' B' ' 3' ' ' ' A' . . . -77.7 -57.65 3.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.031 -1.043 . . . . 0.0 109.332 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -114.19 -163.58 0.88 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.304 -0.873 . . . . 0.0 109.612 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.567 ' HB3' ' HA3' ' A' ' 33' ' ' GLY . 1.1 tpt 66.08 49.26 1.59 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.35 -0.844 . . . . 0.0 111.439 179.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.502 ' NZ ' " O2'" ' B' ' 3' ' ' ' A' . 4.2 mtmt -113.85 73.04 0.8 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.511 -1.368 . . . . 0.0 109.851 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.532 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 1.4 m-80 -159.92 -161.08 0.86 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.421 -0.8 . . . . 0.0 108.913 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 56' ' ' ASN . 8.2 m-30 84.05 -172.33 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.565 0 CA-C-O 121.817 0.817 . . . . 0.0 112.154 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.634 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -46.75 123.51 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 121.709 -0.619 . . . . 0.0 111.171 -178.094 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.524 HG22 ' HB1' ' A' ' 65' ' ' ALA . 0.2 OUTLIER -115.31 130.71 56.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.043 -1.036 . . . . 0.0 109.082 178.466 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 52' ' ' GLU . . . -121.71 139.34 53.7 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.022 -1.049 . . . . 0.0 109.747 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.537 ' O ' HG12 ' A' ' 50' ' ' VAL . 52.5 t -121.37 149.14 43.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.957 . . . . 0.0 109.3 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.539 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 11.7 tt -122.56 125.58 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.1 t -134.17 95.16 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.483 -0.76 . . . . 0.0 109.722 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.54 ' HA3' ' HG2' ' A' ' 22' ' ' MET . . . 67.77 -84.19 0.16 Allowed Glycine 0 N--CA 1.501 2.996 0 O-C-N 121.187 -0.946 . . . . 0.0 110.875 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -123.03 -18.69 6.31 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.303 -1.116 . . . . 0.0 111.265 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.0 pt -92.75 131.72 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.787 -1.195 . . . . 0.0 109.693 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.552 ' CG1' ' H ' ' A' ' 51' ' ' THR . 3.3 t -131.89 -179.06 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.926 -1.109 . . . . 0.0 110.761 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.552 ' H ' ' CG1' ' A' ' 50' ' ' VAL . 9.4 m 82.26 161.95 0.14 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -177.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HB2' ' N ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -145.38 -76.89 0.21 Allowed 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 117.638 -1.625 . . . . 0.0 110.961 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.52 161.81 22.75 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.634 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 11.1 mp0 -69.73 107.75 3.61 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.262 -1.14 . . . . 0.0 111.013 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.532 ' CA ' ' HD2' ' A' ' 64' ' ' ARG . . . -97.14 76.08 0.67 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.551 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . 51.7 t30 -135.19 119.23 17.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.045 -1.268 . . . . 0.0 110.667 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 58' ' ' LYS . . . 160.76 75.14 0.02 OUTLIER Glycine 0 N--CA 1.496 2.692 0 C-N-CA 119.681 -1.247 . . . . 0.0 110.925 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 8.1 mttt 69.32 -67.46 0.22 Allowed 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.496 -1.002 . . . . 0.0 110.789 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.58 71.99 1.47 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.091 -1.005 . . . . 0.0 109.955 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.542 ' O ' ' CB ' ' A' ' 61' ' ' SER . 1.8 t -134.58 159.77 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.411 -0.806 . . . . 0.0 109.136 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 0.8 OUTLIER 91.47 120.97 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.847 0.832 . . . . 0.0 109.021 -179.628 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 61' ' ' SER . 68.5 tttt 79.64 11.41 1.28 Allowed 'General case' 0 N--CA 1.509 2.51 0 CA-C-O 122.104 0.954 . . . . 0.0 108.635 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.84 -68.07 0.19 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.534 ' HB2' HG13 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -48.97 -45.73 42.53 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.404 0.621 . . . . 0.0 110.004 177.166 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HB1' HG22 ' A' ' 42' ' ' THR . . . -58.17 -50.1 74.71 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.757 0.789 . . . . 0.0 109.864 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.52 ' CB ' ' HB2' ' A' ' 9' ' ' PRO . . . -59.17 -46.17 89.11 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -0.981 . . . . 0.0 110.649 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.17 -47.13 75.61 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.142 -0.974 . . . . 0.0 109.645 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.428 ' O ' HG11 ' A' ' 71' ' ' VAL . 2.7 ttpm? -62.45 -49.12 76.67 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.51 -0.744 . . . . 0.0 109.545 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -40.97 91.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.098 -1.001 . . . . 0.0 109.51 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.566 ' HG ' HG21 ' A' ' 13' ' ' VAL . 9.1 mt -65.45 -55.43 18.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.206 -0.934 . . . . 0.0 109.877 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.428 HG11 ' O ' ' A' ' 68' ' ' LYS . 9.9 p -58.05 -34.61 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.316 -0.865 . . . . 0.0 109.642 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -69.02 -55.4 10.94 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.079 -1.013 . . . . 0.0 109.535 178.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.8 mt -61.54 -30.68 70.8 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.147 -0.97 . . . . 0.0 110.548 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -85.91 -11.45 53.17 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.931 -1.106 . . . . 0.0 110.565 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.493 ' HE2' ' O ' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -112.72 -21.97 10.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.066 -1.022 . . . . 0.0 110.522 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 117.473 -1.251 . . . . 0.0 110.987 179.716 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.034 0 C5'-C4'-C3' 111.143 -2.904 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.943 0 C5'-C4'-C3' 111.161 -2.893 . 0.287 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.51 " H1'" ' O ' ' A' ' 35' ' ' ALA . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C3'-C2'-C1' 104.538 3.376 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 O4'-C1'-N19 111.382 3.182 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.163 0 O4'-C1'-N19 110.982 2.782 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.121 0 C5'-C4'-C3' 111.209 -2.861 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.916 0 O4'-C1'-N19 111.053 2.853 . 0.361 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.419 " H2'" ' C8 ' ' B' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.017 0 O4'-C1'-N19 110.995 2.795 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.419 ' C8 ' " H2'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.085 0 O4'-C1'-N19 111.037 2.837 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.134 0 C5'-C4'-C3' 111.273 -2.818 . 0.541 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.08 0 C5'-C4'-C3' 111.08 -2.947 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.172 0 O4'-C1'-N19 111.196 2.996 . 0.12 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.406 HO2' " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.436 1.857 0 C5'-C4'-C3' 110.973 -3.018 . 0.092 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.582 " H1'" ' N4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C3'-C2'-C1' 104.397 3.218 . 0.228 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.961 0 O4'-C1'-N19 111.771 3.571 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.582 ' N4 ' " H1'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.81 0 C5'-C4'-C3' 111.109 -2.927 . 0.01 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.735 ' N3 ' " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.169 0 C5'-C4'-C3' 110.948 -3.035 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.659 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.763 0 C5'-C4'-C3' 110.728 -3.181 . 0.029 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.659 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.216 0 C5'-C4'-C3' 111.103 -2.931 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.487 " C4'" HO2' ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.934 0 C5'-C4'-C3' 111.143 -2.905 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.533 " H2'" " O4'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.171 -2.886 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.533 " O4'" " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.094 0 C5'-C4'-C3' 111.17 -2.887 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.854 0 C5'-C4'-C3' 111.234 -2.844 . 0.303 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.986 0 O4'-C1'-N19 110.971 2.771 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.417 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.983 0 O4'-C1'-N19 111.043 2.843 . 0.269 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.417 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.056 0 O4'-C1'-N19 110.998 2.798 . 0.41 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.06 0 O4'-C1'-N19 111.038 2.838 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.925 0 C5'-C4'-C3' 111.198 -2.868 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.533 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.976 0 O4'-C1'-N19 111.153 2.953 . 0.288 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.533 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C5'-C4'-C3' 111.167 -2.889 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.06 -75.79 0.14 Allowed 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.45 129.09 36.73 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.966 -1.084 . . . . 0.0 108.869 178.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.79 -122.03 0.59 Allowed Glycine 0 N--CA 1.499 2.834 0 C-N-CA 119.435 -1.364 . . . . 0.0 111.578 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 t70 64.91 -162.63 0.27 Allowed 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 23.7 ttpt -154.86 38.81 0.42 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.689 -1.257 . . . . 0.0 109.606 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 31.7 pttt 176.91 -141.38 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -105.15 135.96 19.24 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 120.765 -1.209 . . . . 0.0 108.723 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -73.67 58.38 3.91 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.472 2.115 . . . . 0.0 111.51 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 10' ' ' ILE . 43.8 mm -111.01 -53.09 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.108 -0.995 . . . . 0.0 109.468 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -48.3 -63.49 1.06 Allowed 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.32 -0.862 . . . . 0.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -50.6 -40.36 52.47 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.266 -0.896 . . . . 0.0 110.478 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.2 t -59.53 -44.3 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.875 -1.14 . . . . 0.0 108.16 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -66.21 -43.85 85.53 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.581 ' HG2' HO2' ' B' ' 15' ' ' ' U' . 11.0 mt-10 -56.89 -44.34 82.22 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.53 -0.731 . . . . 0.0 109.107 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.454 HG21 HD13 ' A' ' 16' ' ' ILE . 36.8 mm -70.23 -40.39 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.049 -1.032 . . . . 0.0 109.038 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.25 -50.49 67.22 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.476 ' O ' HG21 ' A' ' 18' ' ' ILE . 4.7 mt -80.43 52.53 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.424 -1.045 . . . . 0.0 108.623 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -155.81 -54.65 0.09 Allowed 'General case' 0 C--N 1.295 -1.761 0 O-C-N 120.995 -1.066 . . . . 0.0 108.696 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -93.51 29.63 1.94 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.497 -0.752 . . . . 0.0 109.196 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 t30 53.9 52.38 13.07 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.351 -0.843 . . . . 0.0 110.147 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.2 mtm -126.59 112.14 15.16 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.981 -1.074 . . . . 0.0 110.538 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -66.25 119.8 12.14 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.11 -0.994 . . . . 0.0 109.226 179.023 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.6 t -99.49 110.83 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.413 -0.804 . . . . 0.0 109.969 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.558 ' HB2' HG21 ' A' ' 45' ' ' ILE . 9.9 m-70 -131.71 127.03 35.99 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.987 -1.07 . . . . 0.0 109.965 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -93.86 144.18 25.67 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.24 -0.912 . . . . 0.0 109.671 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -150.89 128.6 11.57 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.163 -0.96 . . . . 0.0 110.481 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.2 t -87.24 138.59 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.943 -1.098 . . . . 0.0 108.81 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.3 mt -74.69 -55.55 5.75 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.171 -0.956 . . . . 0.0 109.8 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -173.12 156.46 3.23 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.342 -0.849 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -112.24 157.56 20.77 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.631 ' HG3' ' HB2' ' A' ' 37' ' ' MET . 0.0 OUTLIER -67.92 166.61 15.32 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.091 -1.006 . . . . 0.0 110.348 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.76 -64.49 1.25 Allowed Glycine 0 N--CA 1.501 2.975 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -79.83 -174.39 2.25 Favored 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 122.379 2.053 . . . . 0.0 110.632 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.03 31.72 0.63 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.777 -1.202 . . . . 0.0 109.899 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.504 ' O ' ' C ' ' A' ' 37' ' ' MET . 30.9 m170 -106.63 -169.04 1.5 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.144 -0.973 . . . . 0.0 109.358 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.631 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 71.7 mtm 21.84 70.49 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.605 0 CA-C-O 121.707 0.765 . . . . 0.0 111.658 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -73.47 82.53 1.46 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.014 -1.053 . . . . 0.0 109.887 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.26 128.0 42.35 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.351 -0.843 . . . . 0.0 109.698 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -109.53 92.64 4.13 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.071 -1.018 . . . . 0.0 110.365 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.474 HG21 ' HG2' ' A' ' 54' ' ' GLU . 1.4 mp -82.32 108.3 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.232 -0.917 . . . . 0.0 109.66 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -116.37 130.91 57.02 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.892 -1.13 . . . . 0.0 109.357 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -109.64 155.63 21.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.929 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 5.6 t -133.79 139.63 46.42 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -0.998 . . . . 0.0 109.843 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.558 HG21 ' HB2' ' A' ' 25' ' ' HIS . 16.9 tt -110.55 133.05 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' A' ' 23' ' ' THR . 9.8 p -131.91 109.7 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 CA-C-O 121.841 0.829 . . . . 0.0 109.45 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.27 -106.28 0.89 Allowed Glycine 0 N--CA 1.501 2.995 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.52 23.4 12.4 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.314 -1.11 . . . . 0.0 110.331 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.8 151.51 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.026 -1.046 . . . . 0.0 109.809 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.6 t -128.18 149.59 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.036 -1.04 . . . . 0.0 109.322 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.471 ' OG1' ' HE1' ' A' ' 69' ' ' MET . 38.7 p -141.97 126.87 18.24 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.141 -0.974 . . . . 0.0 110.353 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 14.2 mt-10 -94.38 149.17 21.5 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.274 -0.891 . . . . 0.0 110.388 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.64 108.66 0.65 Allowed Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' HG2' HG21 ' A' ' 41' ' ' ILE . 5.5 mt-10 -81.17 79.57 7.8 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.406 -1.056 . . . . 0.0 110.173 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.596 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -78.81 166.34 51.92 Favored Glycine 0 N--CA 1.501 3.003 0 O-C-N 120.809 -1.182 . . . . 0.0 110.721 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -117.11 -58.24 2.08 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.266 -1.137 . . . . 0.0 109.702 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.0 151.79 52.58 Favored Glycine 0 N--CA 1.499 2.851 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -36.86 -56.22 0.87 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.943 -0.739 . . . . 0.0 111.893 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.5 pttt -103.44 32.54 3.76 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.748 -1.22 . . . . 0.0 110.672 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.79 -36.12 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 120.984 -1.072 . . . . 0.0 109.711 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.596 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 34.2 p -58.25 -55.19 38.18 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.275 -0.891 . . . . 0.0 109.613 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -54.49 -37.33 65.16 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.441 -0.787 . . . . 0.0 109.421 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -64.98 0.74 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.36 -0.838 . . . . 0.0 109.44 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -35.81 73.7 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.427 -0.796 . . . . 0.0 110.53 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.37 -49.05 75.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.983 -1.073 . . . . 0.0 108.79 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.94 83.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.564 -0.71 . . . . 0.0 109.241 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -50.3 -56.01 13.04 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.473 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.17 -49.67 76.97 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.084 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.471 ' HE1' ' OG1' ' A' ' 51' ' ' THR . 9.2 ttm -50.52 -49.44 55.75 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.214 -0.929 . . . . 0.0 110.218 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.9 mt -70.74 -43.04 69.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.886 -1.134 . . . . 0.0 110.345 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.53 -38.6 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.061 -1.025 . . . . 0.0 109.807 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' HG3' ' HG3' ' A' ' 68' ' ' LYS . 3.3 mm-40 -80.63 -40.55 25.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.079 -1.013 . . . . 0.0 109.203 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.19 -36.02 80.63 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.425 -0.797 . . . . 0.0 109.86 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -71.46 -0.3 10.06 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.196 -0.94 . . . . 0.0 110.17 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -95.95 -16.74 21.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.145 -0.972 . . . . 0.0 109.628 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 N--CA 1.485 1.324 0 O-C-N 121.463 -0.773 . . . . 0.0 110.079 -178.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.736 " H4'" ' OP1' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.336 3.136 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.736 ' OP1' " H4'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 P-O3'-C3' 123.756 3.38 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.481 " C5'" HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.275 0 O4'-C1'-N19 111.091 2.891 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.223 0 O4'-C1'-N19 111.058 2.858 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.931 0 C5'-C4'-C3' 111.227 -2.849 . 0.317 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.931 0 C5'-C4'-C3' 111.165 -2.89 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.905 0 C5'-C4'-C3' 111.077 -2.949 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.942 0 C5'-C4'-C3' 111.302 -2.799 . 0.105 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.108 0 O4'-C1'-N19 111.074 2.874 . 0.022 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.511 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.044 0 O4'-C1'-N19 110.944 2.744 . 0.284 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.44 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.041 0 O4'-C1'-N19 111.202 3.002 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.495 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.041 0 O4'-C1'-N19 111.055 2.855 . 0.027 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.672 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.004 0 C5'-C4'-C3' 111.247 -2.835 . 0.057 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C3'-C2'-C1' 104.37 3.188 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.581 HO2' ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.612 1.9 0 C5'-C4'-C3' 111.164 -2.891 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.464 " H1'" ' N2 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.994 0 C5'-C4'-C3' 110.942 -3.039 . 0.108 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.476 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.03 0 C5'-C4'-C3' 111.184 -2.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.439 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.284 0 O4'-C1'-N19 110.926 2.726 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.439 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.038 0 C5'-C4'-C3' 111.17 -2.886 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.595 ' H8 ' ' OP2' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.197 0 C5'-C4'-C3' 111.175 -2.883 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.099 0 O4'-C1'-N19 110.98 2.78 . 0.112 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.516 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.093 0 O4'-C1'-N19 111.204 3.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.032 0 C5'-C4'-C3' 111.259 -2.827 . 0.175 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.958 0 C5'-C4'-C3' 111.285 -2.81 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.458 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.08 0 O4'-C1'-N19 111.074 2.874 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.458 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.88 0 C5'-C4'-C3' 111.212 -2.858 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.104 0 O4'-C1'-N19 111.113 2.913 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.988 0 C5'-C4'-C3' 111.232 -2.845 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.482 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O4'-C1'-N19 111.052 2.852 . 0.301 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.421 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.937 0 O4'-C1'-N19 111.148 2.948 . 0.3 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.95 -131.03 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.064 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.476 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -120.37 36.99 4.38 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.87 -1.144 . . . . 0.0 108.967 178.635 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.87 -64.72 1.14 Allowed Glycine 0 N--CA 1.497 2.717 0 N-CA-C 108.642 -1.783 . . . . 0.0 108.642 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.88 121.75 11.91 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.832 -0.804 . . . . 0.0 108.923 178.866 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' A' ' 3' ' ' GLU . 25.5 mttt -145.62 -80.27 0.16 Allowed 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.727 -1.233 . . . . 0.0 110.692 -178.622 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' CE ' ' OG ' ' A' ' 8' ' ' SER . 0.0 OUTLIER 55.62 77.89 0.21 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.417 -0.802 . . . . 0.0 110.894 -179.721 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.49 ' OG ' ' CE ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER 64.77 76.5 0.32 Allowed Pre-proline 0 N--CA 1.507 2.415 0 O-C-N 121.482 -0.761 . . . . 0.0 111.275 178.735 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 37.5 Cg_endo -79.85 104.67 1.72 Allowed 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 122.816 2.344 . . . . 0.0 111.154 179.418 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.65 -56.92 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.367 0 O-C-N 121.262 -0.899 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.45 ' OG ' ' N2 ' ' B' ' 18' ' ' ' G' . 0.1 OUTLIER -48.42 -48.29 37.3 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.005 -1.059 . . . . 0.0 110.805 -179.528 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 26.4 mt-30 -56.14 -43.78 78.57 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.964 -1.085 . . . . 0.0 109.512 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.514 ' HA ' HG12 ' A' ' 16' ' ' ILE . 48.1 t -62.14 -41.0 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.153 -0.967 . . . . 0.0 109.005 178.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.623 ' HB3' ' N7 ' ' B' ' 17' ' ' ' G' . 13.3 m-70 -64.12 -45.88 86.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.287 -0.883 . . . . 0.0 108.941 179.048 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 5.8 mm-40 -63.64 -48.8 75.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.704 -0.622 . . . . 0.0 110.368 179.689 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.514 HG12 ' HA ' ' A' ' 13' ' ' VAL . 46.2 pt -60.7 -33.13 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.656 -1.277 . . . . 0.0 109.507 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.428 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -71.17 -56.64 6.79 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 108.461 -1.856 . . . . 0.0 108.461 178.537 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -40.14 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -1.166 . . . . 0.0 109.387 178.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.568 ' NZ ' ' O2 ' ' B' ' 15' ' ' ' U' . 0.3 OUTLIER -54.68 -25.89 30.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.53 -0.731 . . . . 0.0 110.142 179.579 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -104.89 23.31 13.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 109.585 179.227 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 66.4 m-80 63.82 29.53 14.69 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.293 -0.88 . . . . 0.0 110.021 -179.596 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.8 mtp -107.73 131.23 54.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.087 -1.008 . . . . 0.0 110.063 -179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.421 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 5.1 p -72.54 119.01 16.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.232 -0.917 . . . . 0.0 109.881 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG21 ' HA3' ' A' ' 17' ' ' GLY . 12.5 t -115.7 106.63 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.39 -0.819 . . . . 0.0 109.595 179.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.5 ' HB2' HG21 ' A' ' 45' ' ' ILE . 52.9 m-70 -120.93 131.8 54.57 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.194 -0.941 . . . . 0.0 109.698 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' A' ' 44' ' ' CYS . 3.3 m-85 -121.92 108.97 14.06 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.479 -0.763 . . . . 0.0 110.047 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.3 mmtt -150.59 172.19 15.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.92 -1.112 . . . . 0.0 109.942 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.86 131.46 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.724 -1.235 . . . . 0.0 109.688 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 pp -85.82 -21.36 28.15 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.603 -0.685 . . . . 0.0 110.687 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -175.9 144.34 0.61 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.982 -1.074 . . . . 0.0 109.995 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -94.42 -162.66 0.96 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.317 -0.864 . . . . 0.0 109.679 179.544 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.49 ' C ' ' HD2' ' A' ' 34' ' ' PRO . 0.6 OUTLIER -65.49 -72.15 0.16 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.167 -0.958 . . . . 0.0 110.513 179.943 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.78 -59.74 0.45 Allowed Glycine 0 N--CA 1.501 2.995 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HD2' ' C ' ' A' ' 32' ' ' GLU . 33.7 Cg_endo -76.22 83.23 2.04 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 C-N-CA 122.336 2.024 . . . . 0.0 112.129 -178.638 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 65.34 10.14 6.26 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.512 -0.743 . . . . 0.0 112.037 178.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.441 ' HB3' " H4'" ' B' ' 4' ' ' ' C' . 0.1 OUTLIER 55.49 88.25 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 O-C-N 121.15 -0.969 . . . . 0.0 110.235 178.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mmt -78.57 -88.33 0.05 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.943 -1.098 . . . . 0.0 110.502 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' CE ' " H4'" ' B' ' 3' ' ' ' A' . 1.5 mttt -173.27 32.12 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 O-C-N 121.295 -0.878 . . . . 0.0 111.057 -179.453 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -129.34 101.1 5.83 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.086 -1.009 . . . . 0.0 109.105 179.404 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 31' ' ' GLU . 5.1 m-85 -106.17 149.82 26.44 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.089 -1.007 . . . . 0.0 110.63 -179.328 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.3 mp -116.6 105.75 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.365 -0.835 . . . . 0.0 109.438 179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.531 ' O ' ' HA3' ' A' ' 53' ' ' GLY . 63.0 m -85.53 121.93 28.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.375 -0.828 . . . . 0.0 109.235 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.68 ' HA ' ' HA ' ' A' ' 51' ' ' THR . . . -86.81 112.5 21.77 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.876 -1.14 . . . . 0.0 108.797 179.34 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.53 ' HB2' ' HE3' ' A' ' 69' ' ' MET . 25.9 m -117.19 131.23 56.91 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.775 -1.203 . . . . 0.0 109.175 -179.617 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.5 HG21 ' HB2' ' A' ' 25' ' ' HIS . 14.8 tt -119.43 124.58 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.864 -1.148 . . . . 0.0 109.494 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.546 HG13 ' HB ' ' A' ' 49' ' ' ILE . 12.7 p -147.98 66.45 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 CA-C-O 121.965 0.888 . . . . 0.0 109.759 -179.299 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.4 -82.23 0.01 OUTLIER Glycine 0 N--CA 1.505 3.295 0 O-C-N 121.174 -0.954 . . . . 0.0 111.943 179.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 46' ' ' VAL . 8.0 t -76.46 -22.89 54.0 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.311 -1.111 . . . . 0.0 111.591 -178.494 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.599 ' HB ' ' HE1' ' A' ' 69' ' ' MET . 39.5 mm -119.49 148.73 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 O-C-N 120.621 -1.3 . . . . 0.0 110.982 -179.169 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.65 HG11 ' CG2' ' A' ' 51' ' ' THR . 55.3 t -137.83 160.79 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.547 -0.721 . . . . 0.0 109.322 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.68 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.8 t 21.09 -108.07 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.851 178.61 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.484 ' O ' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER 40.2 22.43 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.563 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.531 ' HA3' ' O ' ' A' ' 42' ' ' THR . . . -93.76 120.13 6.2 Favored Glycine 0 N--CA 1.491 2.308 0 C-N-CA 119.601 -1.285 . . . . 0.0 110.326 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 -136.86 0.11 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.331 -1.099 . . . . 0.0 108.787 179.495 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.612 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . 117.97 168.18 14.36 Favored Glycine 0 N--CA 1.497 2.725 0 O-C-N 120.995 -1.066 . . . . 0.0 111.199 179.436 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 2.6 m-20 -108.9 -8.47 15.26 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.723 -0.869 . . . . 0.0 110.094 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.17 -125.78 6.78 Favored Glycine 0 N--CA 1.499 2.89 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -72.63 67.96 0.8 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.297 -1.119 . . . . 0.0 110.092 -179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -178.4 -50.95 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -153.37 147.56 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 CA-C-O 121.821 0.82 . . . . 0.0 109.385 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.612 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.2 OUTLIER 170.03 -76.83 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.266 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.724 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.435 ' HA ' HG21 ' A' ' 42' ' ' THR . 15.8 mtmt -50.57 -43.01 56.23 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.273 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -63.43 -67.65 0.41 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.636 -0.665 . . . . 0.0 109.653 179.142 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.499 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -47.89 -47.5 31.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.676 -0.64 . . . . 0.0 110.247 179.707 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.505 ' CB ' ' CA ' ' A' ' 53' ' ' GLY . . . -58.95 -44.3 91.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.335 -0.853 . . . . 0.0 109.059 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.29 -37.02 86.0 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.213 -0.929 . . . . 0.0 109.857 179.403 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.499 ' HG3' ' HA ' ' A' ' 64' ' ' ARG . 4.9 mt-10 -53.86 -44.8 70.68 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.801 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -58.45 -47.16 84.93 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.396 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.599 ' HE1' ' HB ' ' A' ' 49' ' ' ILE . 9.0 mtt -58.99 -55.19 38.33 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.527 -0.733 . . . . 0.0 110.562 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.8 mt -61.02 -46.42 90.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.129 -0.982 . . . . 0.0 110.888 -179.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.5 t -52.62 -47.9 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.117 -0.989 . . . . 0.0 110.461 -179.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -77.46 -48.38 17.27 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.409 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.4 mt -58.42 -32.18 68.42 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.109 -0.994 . . . . 0.0 111.01 -179.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -85.35 7.03 23.91 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.87 -1.144 . . . . 0.0 109.845 179.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.94 1.06 8.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.23 -0.919 . . . . 0.0 110.855 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 117.847 -1.073 . . . . 0.0 109.983 -179.808 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 C5'-C4'-C3' 111.268 -2.822 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.186 0 C5'-C4'-C3' 111.322 -2.785 . 0.207 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.485 " H4'" ' CE ' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.935 0 C5'-C4'-C3' 111.125 -2.917 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.441 " H4'" ' HB3' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C5'-C4'-C3' 111.458 -2.695 . 0.182 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.94 0 C5'-C4'-C3' 111.15 -2.9 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.966 0 C5'-C4'-C3' 110.899 -3.067 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.984 0 C5'-C4'-C3' 110.955 -3.03 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.44 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.98 0 C5'-C4'-C3' 111.291 -2.806 . 0.272 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.204 0 C5'-C4'-C3' 111.31 -2.793 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.962 0 C5'-C4'-C3' 111.186 -2.876 . 0.203 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.743 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.03 0 C5'-C4'-C3' 111.31 -2.793 . 0.043 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.743 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.61 1.739 0 O4'-C1'-N19 110.765 2.565 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.516 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.079 0 O4'-C1'-N19 111.937 3.737 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.512 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.313 0 C3'-C2'-C1' 104.708 3.565 . 0.153 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.568 ' O2 ' ' NZ ' ' A' ' 19' ' ' LYS . . . . . . . . 0 P--O5' 1.614 2.148 0 C5'-C4'-C3' 111.635 -2.576 . 0.049 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.545 ' H6 ' " O5'" ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.134 0 C5'-C4'-C3' 111.325 -2.784 . 0.614 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.749 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 O4'-C1'-N19 111.077 2.877 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.749 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.284 0 C5'-C4'-C3' 111.399 -2.734 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.461 ' H22' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.022 0 C5'-C4'-C3' 111.045 -2.97 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.461 " H1'" ' H22' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.026 0 C5'-C4'-C3' 111.02 -2.987 . 0.073 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.011 0 C5'-C4'-C3' 111.182 -2.879 . 0.101 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.449 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.964 0 C5'-C4'-C3' 111.307 -2.796 . 0.363 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.09 0 C5'-C4'-C3' 111.398 -2.735 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.149 0 C5'-C4'-C3' 111.22 -2.854 . 0.012 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.018 0 O4'-C1'-N19 111.165 2.965 . 0.296 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.029 0 C5'-C4'-C3' 111.36 -2.76 . 0.426 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.154 0 O4'-C1'-N19 111.035 2.835 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.478 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.097 0 O4'-C1'-N19 111.104 2.904 . 0.222 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C5'-C4'-C3' 111.16 -2.894 . 0.211 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C5'-C4'-C3' 111.16 -2.893 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.081 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.89 -156.21 0.7 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.282 -176.516 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 55.06 68.54 0.85 Allowed 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 122.064 0.935 . . . . 0.0 109.997 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.86 95.43 0.12 Allowed Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -59.89 139.27 57.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.517 -0.99 . . . . 0.0 110.318 -179.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -127.44 -42.77 1.64 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.338 -0.851 . . . . 0.0 110.486 -179.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -136.15 147.29 47.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.076 -1.015 . . . . 0.0 109.931 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.7 t -86.05 134.37 39.12 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 121.257 -0.902 . . . . 0.0 110.014 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -75.53 -45.5 0.25 Allowed 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.25 1.967 . . . . 0.0 109.914 179.079 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.0 mt -57.65 -47.35 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.411 -0.805 . . . . 0.0 109.801 179.542 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 p -61.41 -52.73 63.38 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.946 -1.096 . . . . 0.0 109.326 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -57.84 -42.95 85.44 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.135 -0.978 . . . . 0.0 109.203 179.275 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.419 HG11 HG13 ' A' ' 24' ' ' VAL . 98.4 t -63.29 -42.42 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -58.08 -41.72 84.06 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -59.82 -57.89 10.94 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.7 mm -46.43 -43.4 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.331 -0.856 . . . . 0.0 110.195 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 -51.45 10.28 Favored Glycine 0 N--CA 1.498 2.799 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 18' ' ' ILE . 32.8 mm -79.39 50.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 122.134 0.968 . . . . 0.0 109.481 179.264 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -148.87 -45.11 0.15 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.563 -1.336 . . . . 0.0 109.562 179.599 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 32.6 mtm180 -93.28 -72.2 0.62 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 178.674 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER 173.27 55.53 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.633 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.556 ' SD ' HG11 ' A' ' 46' ' ' VAL . 22.5 mtt -143.4 130.35 20.55 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.845 -1.159 . . . . 0.0 110.95 -179.113 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -74.98 153.96 38.3 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.312 -0.867 . . . . 0.0 109.315 179.136 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.419 HG13 HG11 ' A' ' 13' ' ' VAL . 85.4 t -128.21 106.71 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.217 -0.927 . . . . 0.0 109.376 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.558 ' HB2' HG23 ' A' ' 45' ' ' ILE . 70.6 m-70 -116.63 121.24 41.13 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.071 -1.018 . . . . 0.0 110.104 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -114.12 134.88 54.59 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.401 -0.812 . . . . 0.0 109.262 179.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -154.93 132.77 11.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.99 -1.069 . . . . 0.0 110.703 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.629 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 74.1 t -79.45 146.38 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.128 -0.982 . . . . 0.0 109.067 179.027 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.492 HD22 ' HB2' ' A' ' 43' ' ' ALA . 7.5 mt -91.43 -59.07 2.24 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.298 -0.876 . . . . 0.0 109.501 -179.772 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 179.23 -168.54 0.09 Allowed 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.415 0.626 . . . . 0.0 110.474 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.529 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 11.2 mp0 -109.44 161.46 15.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.642 -0.661 . . . . 0.0 110.098 -178.868 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.47 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 6.0 mm-40 -77.63 64.13 2.87 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.073 -1.017 . . . . 0.0 109.878 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.46 -159.02 14.08 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -179.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -77.12 -90.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.31 2.007 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.7 100.28 2.82 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.586 -1.321 . . . . 0.0 109.979 -179.654 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -173.86 79.36 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.976 -1.078 . . . . 0.0 110.52 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.91 82.99 0.06 Allowed 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.34 -0.85 . . . . 0.0 110.753 179.589 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.47 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 4.2 mttp -150.15 144.29 25.59 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.388 -0.82 . . . . 0.0 110.169 -179.539 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -82.71 172.3 13.06 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.516 -0.74 . . . . 0.0 109.538 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.529 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 1.5 m-85 -105.29 -172.83 2.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.229 -0.919 . . . . 0.0 109.657 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.7 tp -153.3 108.8 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.061 -1.025 . . . . 0.0 109.578 179.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.629 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 90.8 m -110.09 121.05 44.35 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.058 -1.026 . . . . 0.0 109.682 -179.414 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB2' HD22 ' A' ' 29' ' ' LEU . . . -93.87 152.12 19.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.263 -0.898 . . . . 0.0 109.483 179.568 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.507 ' HB2' ' HE2' ' A' ' 69' ' ' MET . 25.0 p -144.51 143.3 30.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.979 . . . . 0.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.558 HG23 ' HB2' ' A' ' 25' ' ' HIS . 7.7 tt -126.35 142.09 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.074 -1.016 . . . . 0.0 111.03 -179.336 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.556 HG11 ' SD ' ' A' ' 22' ' ' MET . 1.7 t -105.97 171.28 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.628 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -37.07 -46.36 1.25 Allowed Glycine 0 N--CA 1.508 3.484 0 O-C-N 121.313 -0.867 . . . . 0.0 111.262 179.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.9 p -141.99 38.37 1.61 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.083 -1.245 . . . . 0.0 110.294 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 24.4 mm -148.22 154.88 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.162 -0.961 . . . . 0.0 109.657 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.405 HG12 HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -129.98 140.01 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.834 -1.166 . . . . 0.0 109.127 179.029 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.49 ' HB ' ' SG ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -146.34 163.68 34.8 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.236 -0.915 . . . . 0.0 109.967 -179.804 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -126.88 170.01 12.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.08 -1.013 . . . . 0.0 109.814 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' HA3' ' CB ' ' A' ' 65' ' ' ALA . . . -155.24 113.68 0.58 Allowed Glycine 0 N--CA 1.498 2.776 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -179.687 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.836 -0.802 . . . . 0.0 110.967 -179.752 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.596 ' HA3' ' CA ' ' A' ' 61' ' ' SER . . . 74.62 91.39 0.17 Allowed Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -178.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' GLY . 4.1 t30 -32.92 -63.92 0.2 Allowed 'General case' 0 N--CA 1.508 2.452 0 O-C-N 121.758 -0.848 . . . . 0.0 111.549 -179.319 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' LYS . . . -177.97 147.38 8.03 Favored Glycine 0 N--CA 1.5 2.93 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' NZ ' ' A' ' 62' ' ' LYS . 0.9 OUTLIER 59.96 -81.94 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.702 -0.881 . . . . 0.0 109.676 -179.661 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 61' ' ' SER . 12.6 tttt -95.0 -155.34 0.46 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.096 -1.003 . . . . 0.0 109.063 179.07 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.3 t 64.55 -63.16 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 121.323 -0.861 . . . . 0.0 110.446 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.685 ' OG ' ' NZ ' ' A' ' 62' ' ' LYS . 33.6 p -44.73 -64.37 0.71 Allowed 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.396 -0.815 . . . . 0.0 111.357 -179.785 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.685 ' NZ ' ' OG ' ' A' ' 61' ' ' SER . 2.9 mttp -61.14 -12.69 13.36 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.503 -0.748 . . . . 0.0 111.46 -179.136 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -60.38 1.53 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.848 -1.158 . . . . 0.0 109.232 178.928 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -56.55 -45.76 81.06 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.531 -0.73 . . . . 0.0 110.202 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.417 ' CB ' ' HA3' ' A' ' 53' ' ' GLY . . . -59.49 -47.33 85.93 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.299 -0.876 . . . . 0.0 109.45 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.98 85.22 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.495 -0.753 . . . . 0.0 110.223 179.715 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -53.73 -50.95 64.84 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.269 -0.894 . . . . 0.0 110.222 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -65.34 -41.24 94.11 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.148 -0.97 . . . . 0.0 109.867 179.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.507 ' HE2' ' HB2' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -63.73 -43.34 96.81 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.736 -1.228 . . . . 0.0 110.086 179.687 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 13' ' ' VAL . 15.0 mt -60.5 -48.2 82.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.985 -1.072 . . . . 0.0 110.493 -179.681 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.1 m -60.55 -28.36 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.893 -1.129 . . . . 0.0 109.395 179.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -59.69 2.68 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.571 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 69' ' ' MET . 10.9 mp -54.64 -24.01 19.71 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.642 -0.661 . . . . 0.0 110.61 179.174 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -35.35 64.05 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.963 -1.086 . . . . 0.0 109.807 179.538 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -109.99 -31.06 7.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.131 -0.981 . . . . 0.0 110.583 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.723 -179.885 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.449 " H3'" HO5' ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.908 0 C5'-C4'-C3' 111.202 -2.865 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 0 C5'-C4'-C3' 110.917 -3.056 . 0.189 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 111.349 -2.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 C5'-C4'-C3' 111.401 -2.733 . 0.171 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.012 0 C5'-C4'-C3' 111.39 -2.74 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.067 0 C5'-C4'-C3' 111.286 -2.81 . 0.366 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.448 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.01 0 C5'-C4'-C3' 111.247 -2.836 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.451 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.153 0 C5'-C4'-C3' 111.363 -2.758 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.091 0 O4'-C1'-N19 110.987 2.787 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.41 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.12 0 C5'-C4'-C3' 111.359 -2.761 . 0.245 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.078 0 C5'-C4'-C3' 111.192 -2.872 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.436 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.075 0 O4'-C1'-N19 111.03 2.83 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.593 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.049 0 C5'-C4'-C3' 111.142 -2.905 . 0.155 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.566 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C3'-C2'-C1' 104.426 3.251 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.449 " H4'" ' OP2' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.967 0 C5'-C4'-C3' 111.151 -2.899 . 0.12 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.566 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.043 0 C5'-C4'-C3' 111.174 -2.884 . 0.148 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.649 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.054 0 C5'-C4'-C3' 111.022 -2.985 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.503 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.141 0 C5'-C4'-C3' 111.205 -2.863 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.503 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.227 0 C5'-C4'-C3' 111.033 -2.978 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.988 0 C5'-C4'-C3' 111.042 -2.972 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.969 0 C5'-C4'-C3' 111.083 -2.945 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.671 " O2'" ' H8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.325 0 C5'-C4'-C3' 110.879 -3.081 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.671 ' H8 ' " O2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.169 0 P-O3'-C3' 123.405 3.088 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . 0.427 HO2' " H5'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.104 0 O4'-C1'-N19 111.142 2.942 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.427 " H5'" HO2' ' B' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 C5'-C4'-C3' 111.272 -2.819 . 0.353 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.051 0 O4'-C1'-N19 111.029 2.829 . 0.07 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.939 0 C5'-C4'-C3' 111.285 -2.81 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.425 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.895 0 O4'-C1'-N19 111.02 2.82 . 0.199 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.113 0 C5'-C4'-C3' 111.336 -2.776 . 0.295 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.14 0 O4'-C1'-N19 111.241 3.041 . 0.087 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.53 142.82 47.23 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.406 -178.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.39 -60.85 2.06 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.603 -0.685 . . . . 0.0 110.466 -179.133 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.06 105.81 0.43 Allowed Glycine 0 N--CA 1.5 2.924 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -179.431 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -88.8 -36.64 15.95 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.133 -1.216 . . . . 0.0 109.846 179.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -170.84 0.91 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.897 -1.127 . . . . 0.0 109.503 178.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.515 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -149.71 138.19 20.73 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.974 -1.079 . . . . 0.0 108.795 179.49 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.06 88.45 7.0 Favored Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.307 -0.871 . . . . 0.0 110.527 -179.328 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 35.7 Cg_endo -76.67 -45.4 0.19 Allowed 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 122.248 1.965 . . . . 0.0 110.518 179.279 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -49.91 -52.17 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.308 -0.87 . . . . 0.0 109.962 179.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -62.32 1.86 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.381 -0.824 . . . . 0.0 109.448 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.421 ' O ' HG12 ' A' ' 16' ' ' ILE . 5.1 mt-30 -51.93 -38.58 56.88 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.53 -0.731 . . . . 0.0 110.321 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.474 ' CG2' HD21 ' A' ' 70' ' ' LEU . 39.1 t -60.52 -48.95 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 120.871 -1.143 . . . . 0.0 108.559 178.851 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.551 ' HA ' HG12 ' A' ' 24' ' ' VAL . 14.4 m-70 -64.11 -38.21 90.25 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.387 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 19.4 mt-10 -61.2 -55.48 31.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.68 -0.638 . . . . 0.0 109.795 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.441 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 48.8 pt -61.94 -34.48 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.019 -1.05 . . . . 0.0 110.571 -179.585 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.14 -49.33 72.36 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.495 HG12 " O4'" ' B' ' 17' ' ' ' G' . 1.3 mp -81.05 -33.98 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.394 -1.063 . . . . 0.0 110.468 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -60.6 -19.42 57.73 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.719 -1.238 . . . . 0.0 110.544 179.789 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -115.9 -77.63 0.57 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.583 -0.698 . . . . 0.0 109.458 179.691 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 175.31 50.87 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.307 -0.871 . . . . 0.0 110.273 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.4 mtt -135.96 121.26 19.14 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.597 -1.314 . . . . 0.0 111.157 -179.412 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.438 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -78.21 104.48 8.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.259 -0.901 . . . . 0.0 109.093 178.959 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 14' ' ' HIS . 14.8 p -97.2 119.34 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.285 -0.884 . . . . 0.0 110.081 -179.434 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.529 ' HB2' HG21 ' A' ' 45' ' ' ILE . 22.2 m-70 -131.79 121.7 24.59 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.955 -1.091 . . . . 0.0 110.11 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.546 ' CD1' ' HB3' ' A' ' 44' ' ' CYS . 68.3 m-85 -105.07 86.51 2.45 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.383 -0.823 . . . . 0.0 109.924 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -97.15 157.01 16.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.319 -0.863 . . . . 0.0 111.133 -179.449 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -106.36 160.89 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 6.8 mt -107.91 -68.32 0.91 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.94 -1.1 . . . . 0.0 109.991 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 7.0 ttt-85 176.12 83.03 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.492 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 1.9 mp0 -108.0 156.97 18.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.27 -0.893 . . . . 0.0 110.851 -178.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 59.2 -162.02 0.25 Allowed 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 121.627 0.727 . . . . 0.0 110.975 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.39 -64.91 0.58 Allowed Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -179.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -81.72 14.1 2.28 Favored 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 122.681 2.254 . . . . 0.0 111.818 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 53.05 22.82 2.65 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.999 -1.063 . . . . 0.0 110.936 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -127.8 15.0 6.95 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.108 -0.995 . . . . 0.0 110.512 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.8 ttt -116.24 -39.77 3.36 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.866 -1.146 . . . . 0.0 110.019 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HE3' " C4'" ' B' ' 3' ' ' ' A' . 0.7 OUTLIER 42.68 46.5 4.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.705 -0.622 . . . . 0.0 111.105 178.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.562 ' HA ' ' O ' ' A' ' 56' ' ' ASN . 15.1 m-80 -148.77 137.24 21.17 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.287 -0.883 . . . . 0.0 109.847 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -123.13 153.12 40.42 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.224 -0.923 . . . . 0.0 110.678 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.538 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 47.3 mt -146.97 84.27 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.296 -0.877 . . . . 0.0 109.759 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.449 HG22 ' CD ' ' A' ' 62' ' ' LYS . 1.8 m -77.25 118.89 20.19 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.879 -1.138 . . . . 0.0 109.48 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.09 136.17 39.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.012 -1.055 . . . . 0.0 109.52 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.546 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 11.0 p -124.53 131.02 53.49 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.947 -1.096 . . . . 0.0 110.496 -179.644 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.529 HG21 ' HB2' ' A' ' 25' ' ' HIS . 12.7 tt -115.81 141.99 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.36 -0.838 . . . . 0.0 109.266 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 48' ' ' SER . 4.8 p -132.2 157.76 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.443 -0.786 . . . . 0.0 109.177 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.72 67.51 0.07 OUTLIER Glycine 0 N--CA 1.508 3.447 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 46' ' ' VAL . 12.0 p 169.0 -38.0 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.873 -0.781 . . . . 0.0 109.879 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.4 -178.28 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.059 -1.025 . . . . 0.0 110.762 -179.379 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.423 HG23 HG13 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -139.61 142.87 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.323 -0.861 . . . . 0.0 109.059 179.297 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.7 m -144.35 157.03 44.47 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.617 -0.677 . . . . 0.0 109.556 179.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -93.49 132.16 38.03 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.798 -1.189 . . . . 0.0 109.862 179.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.686 ' HA3' ' CB ' ' A' ' 65' ' ' ALA . . . -96.58 81.29 0.74 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -75.5 136.97 40.61 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.681 -0.893 . . . . 0.0 110.641 179.859 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.57 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -146.91 135.36 5.67 Favored Glycine 0 N--CA 1.499 2.86 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 178.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.562 ' O ' ' HA ' ' A' ' 39' ' ' ASN . 5.0 t-20 -50.17 -64.9 0.67 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.277 -1.131 . . . . 0.0 110.928 -178.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 59' ' ' LYS . . . 139.47 -30.06 2.44 Favored Glycine 0 N--CA 1.501 3.003 0 O-C-N 120.705 -1.247 . . . . 0.0 110.002 -179.486 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 12.9 tttp -66.32 74.39 0.09 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.383 -1.069 . . . . 0.0 109.381 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 18.6 ttpt 79.58 0.55 2.21 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.581 -0.7 . . . . 0.0 110.364 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.53 ' O ' ' HB3' ' A' ' 61' ' ' SER . 12.1 p -127.99 157.29 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 120.723 -1.236 . . . . 0.0 110.689 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.57 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 79.1 p 164.38 -90.99 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.027 179.475 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.449 ' CD ' HG22 ' A' ' 42' ' ' THR . 0.1 OUTLIER -55.66 -36.92 67.6 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.298 -0.876 . . . . 0.0 109.441 179.299 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -60.03 -61.74 2.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.385 -0.822 . . . . 0.0 108.836 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' HG2' HG23 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -55.53 -30.55 60.91 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.516 -0.74 . . . . 0.0 109.856 179.116 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.686 ' CB ' ' HA3' ' A' ' 53' ' ' GLY . . . -67.65 -54.15 21.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 109.34 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.485 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -65.37 -40.64 93.81 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.323 -0.861 . . . . 0.0 109.466 179.306 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -51.75 -47.71 63.97 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.461 ' NZ ' ' OE2' ' A' ' 54' ' ' GLU . 28.1 mttm -58.77 -56.67 19.23 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.7 ttm -49.2 -54.06 18.32 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.463 -0.773 . . . . 0.0 110.508 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 HD21 ' CG2' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -61.56 -47.81 83.85 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.956 -1.09 . . . . 0.0 109.824 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.2 t -55.78 -41.45 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.071 -1.018 . . . . 0.0 109.189 178.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.47 -55.98 11.43 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.325 -0.86 . . . . 0.0 109.661 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.83 -27.84 69.6 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.389 -0.82 . . . . 0.0 111.303 -179.303 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -85.79 6.21 29.02 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.715 -1.241 . . . . 0.0 110.547 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -132.26 3.19 3.95 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.065 -1.022 . . . . 0.0 111.228 -179.612 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.33 -0.856 . . . . 0.0 110.053 -179.669 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 0 C5'-C4'-C3' 111.293 -2.805 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.139 0 C5'-C4'-C3' 110.949 -3.034 . 0.055 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.458 " C4'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C1' 1.438 2.036 0 O4'-C1'-N19 111.217 3.017 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.448 ' H6 ' " O5'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.075 0 C5'-C4'-C3' 111.301 -2.799 . 0.272 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.857 0 C5'-C4'-C3' 111.269 -2.82 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C5'-C4'-C3' 111.425 -2.716 . 0.016 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.838 0 C5'-C4'-C3' 110.925 -3.05 . 0.017 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.406 " H2'" ' C8 ' ' B' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.929 0 C5'-C4'-C3' 110.997 -3.002 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.406 ' C8 ' " H2'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.962 0 C5'-C4'-C3' 111.217 -2.855 . 0.015 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.457 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.053 0 C5'-C4'-C3' 111.071 -2.952 . 0.172 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.613 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.047 0 O4'-C1'-N19 111.157 2.957 . 0.042 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.613 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.867 0 O4'-C1'-N19 111.217 3.017 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.474 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.955 0 O4'-C1'-N19 111.952 3.752 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.516 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 C3'-C2'-C1' 104.235 3.038 . 0.327 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.521 HO2' ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.611 1.844 0 O4'-C1'-N19 111.093 2.893 . 0.132 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.516 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.834 0 C5'-C4'-C3' 111.009 -2.994 . 0.276 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.73 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.959 0 C5'-C4'-C3' 110.918 -3.055 . 0.026 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.428 ' N1 ' ' O2 ' ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.124 0 C5'-C4'-C3' 111.084 -2.944 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 110.944 -3.038 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.452 ' C2 ' " H1'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.887 0 C5'-C4'-C3' 111.015 -2.99 . 0.027 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.428 ' C4 ' ' N2 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.011 0 C5'-C4'-C3' 111.272 -2.819 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.476 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.001 0 C5'-C4'-C3' 111.286 -2.809 . 0.309 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.476 ' C8 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.966 0 C5'-C4'-C3' 111.177 -2.882 . 0.303 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.125 0 C5'-C4'-C3' 111.375 -2.75 . 0.013 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.963 0 O4'-C1'-N19 111.03 2.83 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.075 0 C5'-C4'-C3' 111.224 -2.851 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.402 HO2' " H5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.112 0 C5'-C4'-C3' 111.179 -2.88 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.439 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.997 0 C5'-C4'-C3' 111.151 -2.899 . 0.369 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.541 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.875 0 C5'-C4'-C3' 111.337 -2.775 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C5'-C4'-C3' 111.078 -2.948 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 tpt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -112.39 -64.43 1.3 Allowed 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.507 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 3.0 mp0 63.75 -58.26 0.19 Allowed 'General case' 0 N--CA 1.499 2.01 0 O-C-N 122.067 -0.395 . . . . 0.0 110.692 178.624 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . -75.57 66.44 2.36 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 108.863 -1.695 . . . . 0.0 108.863 178.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.607 ' O ' ' NZ ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.65 100.05 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.8 -0.824 . . . . 0.0 110.333 -179.031 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.5 ' C ' ' O ' ' A' ' 5' ' ' ASP . 0.4 OUTLIER 23.02 77.72 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.309 0 CA-C-O 121.539 0.685 . . . . 0.0 112.619 179.658 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.607 ' NZ ' ' O ' ' A' ' 5' ' ' ASP . 13.5 mmtm -111.12 170.74 7.9 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.803 -1.186 . . . . 0.0 109.132 178.835 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t -96.2 111.99 58.28 Favored Pre-proline 0 N--CA 1.498 1.952 0 O-C-N 121.104 -0.998 . . . . 0.0 110.291 -179.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -76.99 -40.82 0.43 Allowed 'Trans proline' 0 C--N 1.318 -1.058 0 C-N-CA 122.593 2.196 . . . . 0.0 110.845 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt -49.83 -41.7 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.309 -0.87 . . . . 0.0 109.749 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -60.78 2.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.512 -0.742 . . . . 0.0 109.327 179.197 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.401 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 6.8 mt-30 -62.93 -33.74 75.99 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.437 -0.789 . . . . 0.0 109.978 179.424 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.426 ' CG2' HD21 ' A' ' 70' ' ' LEU . 85.1 t -57.09 -49.7 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.946 -1.096 . . . . 0.0 108.468 178.732 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -63.71 -41.17 98.14 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.233 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 47.0 mt-10 -58.08 -51.25 70.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.55 -0.719 . . . . 0.0 110.333 179.525 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.2 pt -66.67 -38.65 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.091 -1.006 . . . . 0.0 109.665 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.84 -52.4 52.64 Favored Glycine 0 N--CA 1.499 2.89 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 178.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.4 mt -65.67 -39.99 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.542 -0.975 . . . . 0.0 109.557 179.105 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -68.01 -34.65 76.91 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.15 -0.969 . . . . 0.0 110.392 -179.879 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.95 14.01 23.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.004 -1.06 . . . . 0.0 110.533 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 t30 56.38 40.53 29.7 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.046 -1.034 . . . . 0.0 110.0 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.1 mtt -112.17 131.46 55.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.062 -1.024 . . . . 0.0 109.957 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.25 131.53 46.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.068 -1.02 . . . . 0.0 110.163 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.41 91.11 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.425 -0.797 . . . . 0.0 108.874 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 89.6 m-70 -102.27 99.59 9.69 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.918 -1.113 . . . . 0.0 110.591 -179.019 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.452 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 4.5 m-85 -86.24 104.04 15.42 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.294 -0.879 . . . . 0.0 109.219 179.377 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.97 146.08 46.85 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.921 -1.112 . . . . 0.0 111.236 -179.268 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.3 t -102.26 162.25 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.0 -1.063 . . . . 0.0 108.801 178.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.18 -73.86 0.62 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.922 -1.112 . . . . 0.0 109.459 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -172.76 -85.62 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 121.433 0.635 . . . . 0.0 109.5 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 72.65 152.42 0.12 Allowed 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.758 0.79 . . . . 0.0 111.368 179.235 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.18 55.29 3.38 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.341 -0.849 . . . . 0.0 109.518 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.515 ' HA3' ' CZ ' ' A' ' 40' ' ' PHE . . . -49.44 -52.32 24.24 Favored Glycine 0 N--CA 1.504 3.185 0 O-C-N 121.095 -1.003 . . . . 0.0 111.37 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 33' ' ' GLY . 36.6 Cg_endo -78.64 159.97 28.3 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 122.299 1.999 . . . . 0.0 111.322 -179.573 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 34' ' ' PRO . . . 76.1 -72.31 0.11 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.537 -0.727 . . . . 0.0 111.105 179.254 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -146.46 142.34 28.02 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.793 -1.192 . . . . 0.0 110.686 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 ttp 74.61 77.11 0.11 Allowed 'General case' 0 N--CA 1.504 2.266 0 CA-C-O 121.89 0.852 . . . . 0.0 109.617 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.6 70.63 3.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.166 -0.959 . . . . 0.0 109.693 -179.789 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -132.57 132.3 42.41 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.88 -1.137 . . . . 0.0 109.559 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.515 ' CZ ' ' HA3' ' A' ' 33' ' ' GLY . 18.1 m-85 -123.01 98.9 6.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.05 -1.031 . . . . 0.0 110.329 -179.73 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.49 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 3.2 mp -73.54 117.86 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.199 -0.938 . . . . 0.0 109.635 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.501 ' HB ' ' HB3' ' A' ' 65' ' ' ALA . 90.5 m -96.4 128.77 43.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.131 -0.981 . . . . 0.0 109.084 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.55 111.75 24.45 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.113 -0.992 . . . . 0.0 110.485 -179.402 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 65' ' ' ALA . 60.6 m -107.52 116.02 31.19 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.017 -1.052 . . . . 0.0 109.095 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.529 ' CG1' ' HB ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -84.07 126.29 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.913 -1.117 . . . . 0.0 110.617 -179.188 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' SER . 2.2 t -97.56 158.07 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 178.284 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.3 69.48 0.03 OUTLIER Glycine 0 N--CA 1.505 3.271 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' VAL . 1.7 m 164.41 -42.81 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 122.044 -0.68 . . . . 0.0 109.207 -179.611 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -158.17 -152.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.529 ' HB ' ' CG1' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -137.02 150.56 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.436 -1.415 . . . . 0.0 110.361 179.24 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.499 ' OG1' ' HG3' ' A' ' 69' ' ' MET . 6.7 p -117.9 117.34 29.01 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.431 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -88.21 142.02 28.09 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.361 -0.837 . . . . 0.0 110.477 -179.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.56 101.01 0.49 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.49 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 15.3 mt-10 -72.21 79.08 0.97 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.431 -1.04 . . . . 0.0 110.379 -179.6 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.462 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -83.49 155.46 32.38 Favored Glycine 0 N--CA 1.5 2.936 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 179.799 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -68.28 -15.43 63.57 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.117 -1.225 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.38 -97.84 0.78 Allowed Glycine 0 N--CA 1.499 2.892 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -73.1 -31.56 64.42 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.452 -1.028 . . . . 0.0 110.699 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -83.4 -43.65 15.66 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.056 -1.027 . . . . 0.0 109.729 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.541 HG11 ' HB2' ' A' ' 64' ' ' ARG . 2.0 t -143.48 146.7 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.298 -0.876 . . . . 0.0 109.319 179.534 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.462 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 82.0 p -174.73 -91.59 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' N ' ' OG ' ' A' ' 61' ' ' SER . 15.0 mttt -56.03 -34.5 65.92 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.247 -0.908 . . . . 0.0 108.778 178.47 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' NZ ' ' CD ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -64.84 -46.85 80.16 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.408 -0.807 . . . . 0.0 109.534 178.902 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.541 ' HB2' HG11 ' A' ' 60' ' ' VAL . 2.3 tpt180 -62.92 -44.65 95.5 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.352 -0.842 . . . . 0.0 109.014 179.153 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.551 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -60.01 -45.07 93.97 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.651 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.01 90.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.466 -0.771 . . . . 0.0 109.54 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' CD ' ' NZ ' ' A' ' 63' ' ' LYS . 26.9 mt-10 -54.52 -41.02 69.17 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.437 -0.79 . . . . 0.0 109.713 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.49 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -66.89 -57.27 7.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.228 -0.92 . . . . 0.0 108.972 178.857 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.499 ' HG3' ' OG1' ' A' ' 51' ' ' THR . 1.7 mtt -49.11 -50.77 35.59 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.531 -0.731 . . . . 0.0 110.45 179.568 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -65.51 -48.74 71.51 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.151 -0.968 . . . . 0.0 111.483 -179.162 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.479 HG11 ' O ' ' A' ' 68' ' ' LYS . 6.8 p -65.31 -38.4 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.766 -1.209 . . . . 0.0 110.61 -179.068 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.49 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -69.54 -55.72 9.38 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.129 -0.982 . . . . 0.0 109.852 179.888 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.528 ' CD2' HD12 ' A' ' 76' ' ' LEU . 37.6 mt -58.62 -22.17 55.64 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.978 -1.076 . . . . 0.0 110.595 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.546 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -55.31 -35.78 65.5 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 177.842 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 79.8 mttt -156.32 88.82 1.09 Allowed 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.469 0.652 . . . . 0.0 109.568 177.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.528 HD12 ' CD2' ' A' ' 73' ' ' LEU . 5.2 mt . . . . . 0 C--N 1.291 -1.943 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.981 179.565 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.461 " H4'" " O5'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C3'-C2'-C1' 104.008 2.786 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.461 " O5'" " H4'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C3'-C2'-C1' 104.454 3.282 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.409 " O2'" ' HA ' ' A' ' 34' ' ' PRO . . . . . . . . 0 O4'--C1' 1.44 2.157 0 C5'-C4'-C3' 111.096 -2.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.43 ' H6 ' " O5'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.962 0 C5'-C4'-C3' 111.392 -2.739 . 0.305 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.095 0 C5'-C4'-C3' 111.263 -2.825 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . 0.425 " H2'" ' C6 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.061 0 C5'-C4'-C3' 111.273 -2.818 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.425 ' C6 ' " H2'" ' B' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.118 0 O4'-C1'-N19 111.116 2.916 . 0.18 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.094 0 C5'-C4'-C3' 111.127 -2.916 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.419 " H2'" ' C6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.038 0 O4'-C1'-N19 110.995 2.795 . 0.376 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.52 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.017 0 O4'-C1'-N19 110.973 2.773 . 0.185 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.611 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.174 0 C5'-C4'-C3' 111.296 -2.803 . 0.068 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.643 ' O2 ' " H2'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.085 0 O4'-C1'-N19 111.106 2.906 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.408 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.068 0 O4'-C1'-N19 111.77 3.57 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.794 " O2'" ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C3'-C2'-C1' 104.72 3.578 . 0.096 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.089 0 O4'-C1'-N19 111.691 3.491 . 0.139 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.794 ' H5 ' " O2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.945 0 O4'-C1'-N19 111.462 3.262 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.708 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.835 0 O4'-C1'-N19 111.225 3.025 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.708 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 C5'-C4'-C3' 111.508 -2.661 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.049 0 C5'-C4'-C3' 111.199 -2.868 . 0.229 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.665 " O2'" " H5'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.086 0 O4'-C1'-N19 111.091 2.891 . 0.146 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.665 " H5'" " O2'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.911 0 C5'-C4'-C3' 111.237 -2.842 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.4 ' C6 ' " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.017 0 C5'-C4'-C3' 111.248 -2.835 . 0.26 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.971 0 C5'-C4'-C3' 111.195 -2.87 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.058 0 O4'-C1'-N19 111.072 2.872 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.481 ' H6 ' " O5'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.114 0 O4'-C1'-N19 111.135 2.935 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.596 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.118 0 O4'-C1'-N19 111.033 2.833 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.955 0 C5'-C4'-C3' 111.263 -2.825 . 0.241 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.988 0 C5'-C4'-C3' 111.196 -2.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.935 0 C5'-C4'-C3' 111.194 -2.871 . 0.132 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.06 0 O4'-C1'-N19 111.111 2.911 . 0.037 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mtt . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.91 58.87 1.23 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.848 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.83 22.8 14.11 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.372 -0.83 . . . . 0.0 110.631 -178.51 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.69 -8.25 71.72 Favored Glycine 0 N--CA 1.502 3.07 0 O-C-N 120.88 -1.138 . . . . 0.0 110.819 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.416 ' O ' ' CE ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -63.03 -60.01 4.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.109 -1.23 . . . . 0.0 109.551 179.759 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 12.3 mmtt -84.49 175.39 9.33 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.027 -1.046 . . . . 0.0 109.547 179.524 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 172.56 -156.82 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.337 -0.852 . . . . 0.0 109.394 -179.472 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.5 p -97.28 107.15 36.73 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.152 -0.967 . . . . 0.0 108.96 178.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 31.5 Cg_endo -72.5 -37.32 4.3 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.124 1.883 . . . . 0.0 110.434 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.74 -39.09 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.32 -0.863 . . . . 0.0 109.776 179.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -65.33 0.66 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.039 -1.038 . . . . 0.0 109.318 179.298 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -57.47 -33.77 68.33 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.402 -0.811 . . . . 0.0 109.564 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.583 HG13 HG11 ' A' ' 24' ' ' VAL . 55.4 t -65.06 -38.75 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.861 -1.149 . . . . 0.0 108.514 178.251 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.42 ' O ' HG22 ' A' ' 18' ' ' ILE . 4.0 m-70 -68.85 -48.68 62.87 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.526 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 37.4 mt-10 -58.66 -49.04 79.01 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.599 -0.688 . . . . 0.0 109.561 179.157 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.3 mt -70.22 -32.73 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.1 -1.0 . . . . 0.0 108.548 178.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -51.18 -41.92 47.8 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -88.28 -43.42 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 120.841 -1.387 . . . . 0.0 107.953 178.673 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 5.8 tptt -53.59 -34.21 57.6 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.686 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.485 ' HB3' ' HG3' ' A' ' 22' ' ' MET . 0.0 OUTLIER -104.66 24.59 11.52 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.047 -1.033 . . . . 0.0 110.904 -179.208 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.27 38.03 23.72 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.091 -1.006 . . . . 0.0 110.713 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.485 ' HG3' ' HB3' ' A' ' 20' ' ' ARG . 2.4 mtt -99.71 -35.95 9.64 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.996 -1.065 . . . . 0.0 109.968 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.81 66.33 0.58 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.224 -0.922 . . . . 0.0 109.932 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.583 HG11 HG13 ' A' ' 13' ' ' VAL . 62.6 t -66.19 102.22 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.108 -0.995 . . . . 0.0 109.437 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.534 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 19.3 m-70 -108.27 112.16 24.49 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.245 -0.909 . . . . 0.0 110.14 -179.492 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 44' ' ' CYS . 29.8 m-85 -89.47 137.77 32.03 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.325 -0.859 . . . . 0.0 110.24 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -151.17 124.52 8.87 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.455 -0.778 . . . . 0.0 109.779 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.9 t -90.25 135.21 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.906 -1.121 . . . . 0.0 109.533 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mt -82.71 -36.93 25.4 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.264 -0.897 . . . . 0.0 109.21 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -168.08 141.05 3.14 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.42 -0.8 . . . . 0.0 109.55 179.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 3.4 pt-20 -113.61 128.23 56.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.428 -0.795 . . . . 0.0 109.898 -179.542 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 50.83 -151.28 0.22 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.448 -0.782 . . . . 0.0 110.385 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.905 ' O ' " H4'" ' B' ' 4' ' ' ' C' . . . -171.84 175.63 45.17 Favored Glycine 0 N--CA 1.5 2.926 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.756 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -73.08 -31.56 9.53 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.222 1.948 . . . . 0.0 111.22 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HA ' ' H22' ' B' ' 2' ' ' ' G' . . . -169.85 141.32 2.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.081 -1.012 . . . . 0.0 110.154 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 67.92 170.13 0.27 Allowed 'General case' 0 N--CA 1.503 2.201 0 CA-C-O 121.364 0.602 . . . . 0.0 110.844 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 33.75 73.2 0.08 Allowed 'General case' 0 N--CA 1.508 2.432 0 CA-C-O 121.41 0.624 . . . . 0.0 112.377 179.447 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.613 ' NZ ' " O2'" ' B' ' 2' ' ' ' G' . 0.2 OUTLIER -91.88 100.19 12.91 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.948 -1.095 . . . . 0.0 108.799 178.463 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -147.83 153.72 39.53 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.243 -0.911 . . . . 0.0 110.364 -179.296 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.587 ' CG ' ' HA2' ' A' ' 57' ' ' GLY . 1.1 m-85 -106.51 127.53 53.38 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.144 -0.973 . . . . 0.0 110.002 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.2 95.87 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.857 -1.152 . . . . 0.0 109.739 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -97.14 123.13 40.81 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.261 -0.899 . . . . 0.0 109.493 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.681 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -102.6 168.38 9.31 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.113 -0.992 . . . . 0.0 109.917 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.644 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -160.21 154.37 23.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.097 -1.002 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.25 132.29 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.097 -1.002 . . . . 0.0 110.004 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.486 ' HB ' ' CE ' ' A' ' 69' ' ' MET . 13.1 p -122.21 95.42 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-O 121.998 0.904 . . . . 0.0 109.812 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.17 -100.97 0.69 Allowed Glycine 0 N--CA 1.5 2.912 0 O-C-N 120.767 -1.208 . . . . 0.0 110.306 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.5 t -118.89 24.91 10.57 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.265 -1.138 . . . . 0.0 110.146 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.63 154.46 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.064 -1.022 . . . . 0.0 109.34 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.2 t -118.22 145.99 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.136 -0.978 . . . . 0.0 109.001 179.233 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.8 152.71 43.97 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.561 -0.712 . . . . 0.0 109.506 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.681 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 10.8 pt-20 -121.95 165.16 16.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.101 -0.999 . . . . 0.0 110.006 179.847 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.17 109.64 0.72 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 66.25 0.33 Allowed 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 121.833 0.825 . . . . 0.0 109.915 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.551 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -64.36 147.12 50.78 Favored Glycine 0 N--CA 1.498 2.805 0 O-C-N 121.099 -1.001 . . . . 0.0 110.659 -179.738 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -68.08 -8.88 41.8 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.305 -1.115 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.587 ' HA2' ' CG ' ' A' ' 40' ' ' PHE . . . 105.28 -112.19 3.93 Favored Glycine 0 N--CA 1.502 3.084 0 N-CA-C 110.048 -1.221 . . . . 0.0 110.048 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -72.63 59.74 0.46 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.256 -1.144 . . . . 0.0 109.682 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 tttm 179.69 -47.23 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.525 -0.734 . . . . 0.0 109.09 -179.792 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.451 HG12 ' HB2' ' A' ' 64' ' ' ARG . 1.6 t -141.33 148.72 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.324 -0.86 . . . . 0.0 109.629 179.711 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.551 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.4 OUTLIER 175.15 -83.26 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.448 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -53.48 -38.21 63.41 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.291 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 1.2 ttmt -66.57 -65.14 0.72 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.48 -0.762 . . . . 0.0 109.926 179.285 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.451 ' HB2' HG12 ' A' ' 60' ' ' VAL . 8.4 ttt85 -44.54 -40.81 5.97 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.085 -1.009 . . . . 0.0 110.416 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.459 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -69.73 -44.18 70.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.326 -0.859 . . . . 0.0 109.396 179.196 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.21 -54.71 21.93 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.414 -0.804 . . . . 0.0 110.684 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 3.7 mm-40 -51.22 -40.01 57.82 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HZ2' ' CD ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.35 -47.21 86.27 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.235 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.644 ' SD ' ' HB2' ' A' ' 44' ' ' CYS . 48.0 mtp -59.86 -44.25 94.23 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.122 -0.986 . . . . 0.0 109.097 178.548 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.6 mt -58.02 -54.55 45.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.386 -0.821 . . . . 0.0 109.757 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.5 m -58.83 -24.76 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.861 -1.149 . . . . 0.0 109.332 178.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' CD ' ' HZ2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -78.07 -63.62 1.35 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.713 -0.617 . . . . 0.0 109.926 179.31 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 HD23 HG21 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -64.14 -21.37 66.52 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.834 -1.166 . . . . 0.0 110.747 179.912 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.18 17.1 1.73 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.796 -1.19 . . . . 0.0 110.145 179.16 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -13.17 9.97 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.342 -0.849 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.964 -179.7 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.826 " H1'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.981 0 C3'-C2'-C1' 104.122 2.913 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.826 " O4'" " H1'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.008 0 C5'-C4'-C3' 111.457 -2.695 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.493 " O2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.613 2.025 0 C5'-C4'-C3' 110.729 -3.181 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.905 " H4'" ' O ' ' A' ' 33' ' ' GLY . . . . . . . . 0 O4'--C1' 1.437 1.919 0 O4'-C1'-N19 110.977 2.777 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.41 ' N1 ' ' N3 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.083 0 C5'-C4'-C3' 111.115 -2.924 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.91 0 C5'-C4'-C3' 111.27 -2.82 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.958 0 C5'-C4'-C3' 111.08 -2.947 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.513 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.89 0 C5'-C4'-C3' 111.301 -2.799 . 0.202 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.03 0 C5'-C4'-C3' 111.295 -2.803 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.481 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.032 0 C5'-C4'-C3' 111.249 -2.834 . 0.17 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.1 0 C5'-C4'-C3' 111.167 -2.889 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.95 0 O4'-C1'-N19 111.263 3.063 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.031 0 C5'-C4'-C3' 111.176 -2.883 . 0.329 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.622 " H1'" ' O6 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 C5'-C4'-C3' 110.61 -3.26 . 0.273 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.405 " O3'" ' NZ ' ' A' ' 19' ' ' LYS . . . . . . . . 0 O4'--C4' 1.428 -2.092 0 O4'-C1'-N19 111.539 3.339 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.66 ' H6 ' " O5'" ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.979 0 C5'-C4'-C3' 111.251 -2.832 . 0.081 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.632 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.916 0 C5'-C4'-C3' 110.712 -3.192 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.525 ' OP2' ' H8 ' ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.065 0 C5'-C4'-C3' 111.094 -2.938 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.418 " H2'" ' N3 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.894 0 C5'-C4'-C3' 110.814 -3.124 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.404 ' N3 ' " H2'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.609 1.637 0 C5'-C4'-C3' 110.898 -3.068 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.463 ' N3 ' " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.91 0 C5'-C4'-C3' 111.066 -2.956 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.116 0 O4'-C1'-N19 111.115 2.915 . 0.148 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.108 0 O4'-C1'-N19 111.117 2.917 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.188 0 C5'-C4'-C3' 111.391 -2.74 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.059 0 O4'-C1'-N19 111.136 2.936 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.58 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.182 0 O4'-C1'-N19 111.08 2.88 . 0.175 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.435 " O2'" " H5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C5'-C4'-C3' 111.455 -2.697 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.703 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.152 0 C5'-C4'-C3' 111.072 -2.952 . 0.088 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.423 " H2'" ' C5 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.23 0 C5'-C4'-C3' 111.066 -2.956 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.423 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.269 0 C5'-C4'-C3' 111.286 -2.809 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.439 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 37.2 ttp . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.97 0.415 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.03 57.34 4.39 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 121.54 0.686 . . . . 0.0 110.591 -178.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 1' ' ' MET . 11.6 mp0 -109.08 -63.78 1.31 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.072 -1.017 . . . . 0.0 109.208 179.187 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.17 -166.64 25.97 Favored Glycine 0 N--CA 1.499 2.855 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -166.49 1.08 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -1.127 . . . . 0.0 109.124 179.665 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -113.06 41.2 2.14 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.594 -1.316 . . . . 0.0 110.669 -179.224 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HA ' ' OP1' ' B' ' 20' ' ' ' G' . 32.8 mtmt -109.77 60.24 0.6 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.748 -1.22 . . . . 0.0 110.625 -179.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.524 ' OG ' ' HE2' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -159.94 97.05 1.53 Allowed Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 120.986 -1.072 . . . . 0.0 110.039 179.697 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -74.3 -70.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 122.451 2.1 . . . . 0.0 110.443 179.743 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.624 ' HB ' ' CD2' ' A' ' 14' ' ' HIS . 10.0 mm 60.21 1.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 120.931 -1.105 . . . . 0.0 112.215 178.412 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -35.41 -72.04 0.06 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.003 -1.061 . . . . 0.0 112.24 -179.373 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -40.15 -43.87 1.72 Allowed 'General case' 0 N--CA 1.507 2.409 0 O-C-N 121.267 -0.896 . . . . 0.0 111.631 -178.638 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.567 ' HB ' HG22 ' A' ' 10' ' ' ILE . 20.8 t -72.78 -39.62 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 120.722 -1.236 . . . . 0.0 109.183 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.624 ' CD2' ' HB ' ' A' ' 10' ' ' ILE . 32.2 m-70 -64.45 -43.29 94.75 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.268 -0.895 . . . . 0.0 108.88 178.692 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' HG2' HO2' ' B' ' 15' ' ' ' U' . 19.2 mt-10 -55.25 -53.74 52.24 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.247 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.423 HD11 HD12 ' A' ' 70' ' ' LEU . 75.2 mt -67.13 -43.54 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.225 -0.922 . . . . 0.0 109.532 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.64 -58.75 11.21 Favored Glycine 0 N--CA 1.501 2.992 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.405 ' HB ' ' H8 ' ' B' ' 17' ' ' ' G' . 0.1 OUTLIER -60.81 -36.23 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.367 -1.078 . . . . 0.0 109.45 178.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -51.34 -33.28 28.77 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.361 -0.837 . . . . 0.0 109.643 178.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.67 20.84 13.82 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.317 -0.865 . . . . 0.0 110.185 179.734 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 55.67 40.82 30.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.194 -0.941 . . . . 0.0 109.607 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.9 mtp -101.64 141.28 34.74 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.089 -1.007 . . . . 0.0 110.684 -179.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.539 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -76.4 118.84 19.5 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.19 -0.944 . . . . 0.0 109.683 179.613 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -105.78 112.46 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.479 -0.763 . . . . 0.0 109.657 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.564 ' HB2' HG22 ' A' ' 45' ' ' ILE . 14.7 m-70 -128.45 133.59 48.56 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.006 -1.059 . . . . 0.0 110.121 -179.584 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -120.76 140.38 51.77 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.221 -0.924 . . . . 0.0 110.016 -179.665 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -158.02 165.38 35.24 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.949 -1.095 . . . . 0.0 110.068 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 5.6 t -103.12 154.18 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.896 -1.127 . . . . 0.0 109.468 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.72 -38.61 6.34 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.21 -0.931 . . . . 0.0 109.823 -179.526 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 -142.34 117.09 9.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.293 -0.879 . . . . 0.0 110.026 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -118.05 97.12 5.65 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.558 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.92 -168.83 2.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.302 -0.874 . . . . 0.0 110.832 -178.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.3 140.69 27.78 Favored Glycine 0 N--CA 1.498 2.831 0 O-C-N 120.977 -1.077 . . . . 0.0 110.526 -179.211 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -70.56 -27.93 22.04 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 122.724 2.283 . . . . 0.0 110.744 179.529 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.07 20.1 9.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.245 -0.91 . . . . 0.0 109.521 178.573 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.01 -49.68 0.51 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.93 -1.106 . . . . 0.0 110.245 -179.387 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 mtt -141.09 87.89 2.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.986 -1.071 . . . . 0.0 109.918 -179.128 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -69.49 68.13 0.23 Allowed 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.132 -0.98 . . . . 0.0 110.793 -179.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -142.65 114.64 8.21 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.948 -1.095 . . . . 0.0 109.129 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.24 103.29 11.19 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.163 -0.961 . . . . 0.0 110.462 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.9 mm -75.05 100.51 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.188 -0.945 . . . . 0.0 108.632 179.327 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 53.6 m -99.14 127.81 45.16 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.237 -0.914 . . . . 0.0 110.003 -179.158 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -108.76 149.89 28.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.434 -0.791 . . . . 0.0 109.531 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.5 p -137.69 155.23 49.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 0.0 110.056 -179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.564 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.9 tt -133.06 133.58 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.53 -0.731 . . . . 0.0 109.167 179.45 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.539 ' HA ' ' O ' ' A' ' 23' ' ' THR . 72.2 t -131.07 102.18 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.205 -0.934 . . . . 0.0 109.359 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . 55.92 58.88 11.94 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -179.862 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 t 81.53 -32.36 0.1 Allowed 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.603 -0.94 . . . . 0.0 111.744 179.44 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 45' ' ' ILE . 6.5 mt -71.54 135.11 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.631 -1.293 . . . . 0.0 109.83 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.503 HG23 HG13 ' A' ' 45' ' ' ILE . 1.6 t -122.34 150.13 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.217 -0.927 . . . . 0.0 109.973 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.502 ' OG1' ' HG3' ' A' ' 69' ' ' MET . 3.3 m -160.41 146.87 15.51 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.333 -0.855 . . . . 0.0 109.354 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -109.26 163.21 13.58 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.115 -0.991 . . . . 0.0 110.861 -179.04 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.547 ' HA3' ' HB1' ' A' ' 65' ' ' ALA . . . -135.84 107.1 0.6 Allowed Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 -179.636 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.562 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 17.7 pm0 -70.86 67.57 0.4 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.926 0.87 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.627 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -82.71 128.84 8.7 Favored Glycine 0 N--CA 1.5 2.948 0 O-C-N 120.162 -1.586 . . . . 0.0 112.223 -178.658 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.54 56.79 1.04 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.336 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.42 166.71 39.51 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 120.912 -1.117 . . . . 0.0 110.774 -179.083 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 107.67 0.29 Allowed 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.671 -0.899 . . . . 0.0 111.474 -179.631 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt 63.29 12.85 6.51 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.564 -0.71 . . . . 0.0 111.546 179.267 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.462 HG11 ' CA ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -74.21 -35.82 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 120.782 -1.199 . . . . 0.0 110.102 179.845 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.627 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 24.5 p -55.88 -60.72 3.06 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.623 -0.673 . . . . 0.0 110.621 -179.594 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.524 ' HE2' ' OG ' ' A' ' 8' ' ' SER . 49.8 mttt -49.58 -39.92 36.84 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.542 -0.724 . . . . 0.0 109.987 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.581 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 9.3 mmtt -71.53 -63.67 1.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.195 -0.941 . . . . 0.0 108.94 179.095 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -48.58 -38.71 21.44 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.197 -0.939 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.547 ' HB1' ' HA3' ' A' ' 53' ' ' GLY . . . -67.73 -47.74 68.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.059 -1.026 . . . . 0.0 109.642 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.62 -46.54 75.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.443 -0.786 . . . . 0.0 110.636 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 11.9 mm-40 -53.78 -41.92 67.75 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.225 -0.922 . . . . 0.0 109.45 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.431 ' O ' HG11 ' A' ' 71' ' ' VAL . 1.2 mtmt -62.73 -58.0 9.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.612 -0.68 . . . . 0.0 109.362 179.209 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.502 ' HG3' ' OG1' ' A' ' 51' ' ' THR . 3.3 ttm -58.47 -40.27 82.2 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.246 -0.909 . . . . 0.0 110.73 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.463 HD21 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -65.32 -55.21 19.52 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.971 -1.081 . . . . 0.0 110.578 -179.32 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.431 HG11 ' O ' ' A' ' 68' ' ' LYS . 7.7 p -56.98 -32.65 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.141 -0.974 . . . . 0.0 109.978 -179.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.43 -47.2 16.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.76 -1.212 . . . . 0.0 109.547 179.172 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.35 -36.74 76.29 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.096 -1.002 . . . . 0.0 110.307 179.414 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.56 -18.19 57.15 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.22 -0.925 . . . . 0.0 109.897 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.08 -19.76 15.65 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.293 -0.879 . . . . 0.0 109.949 179.767 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 CA--C 1.554 1.122 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.916 -179.567 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.78 0 C5'-C4'-C3' 111.318 -2.788 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.996 0 C5'-C4'-C3' 110.994 -3.004 . 0.037 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.91 0 C5'-C4'-C3' 111.197 -2.869 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C5'-C4'-C3' 111.56 -2.627 . 0.225 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.042 0 C5'-C4'-C3' 110.839 -3.107 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.871 0 C5'-C4'-C3' 111.231 -2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.427 ' H6 ' " O5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.046 0 O4'-C1'-N19 111.113 2.913 . 0.144 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.512 ' O4 ' ' N6 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.188 0 O4'-C1'-N19 111.056 2.856 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.892 0 C5'-C4'-C3' 111.272 -2.819 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.454 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.989 0 O4'-C1'-N19 111.052 2.852 . 0.207 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.618 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.296 0 C5'-C4'-C3' 111.304 -2.798 . 0.012 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.817 " H2'" " O4'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.231 0 O4'-C1'-N19 111.116 2.916 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.817 " O4'" " H2'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 C3'-C2'-C1' 103.944 2.716 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.532 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.74 0 O4'-C1'-N19 112.001 3.801 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.59 HO2' ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C3'-C2'-C1' 104.53 3.367 . 0.152 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.532 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.279 0 C5'-C4'-C3' 111.151 -2.899 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.8 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.856 0 O4'-C1'-N19 111.302 3.102 . 0.0 OUTLIER '7D dist 6j' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.027 0 C5'-C4'-C3' 111.336 -2.776 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.445 ' N2 ' ' C4 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.828 0 C5'-C4'-C3' 111.234 -2.844 . 0.403 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.468 ' OP1' ' HA ' ' A' ' 7' ' ' LYS . . . . . . . . 0 O4'--C1' 1.436 1.856 0 C5'-C4'-C3' 110.909 -3.061 . 0.224 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.443 ' C8 ' " H2'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.966 0 C5'-C4'-C3' 111.341 -2.773 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.985 0 C5'-C4'-C3' 111.093 -2.938 . 0.27 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.512 ' N6 ' ' O4 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C3'-C2'-C1' 104.119 2.91 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . 0.704 " O2'" ' C5 ' ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.299 2 C1'-O4'-C4' 103.368 -6.924 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.729 " H2'" ' O2 ' ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.948 3 O3'-P-O5' 92.369 -6.122 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.083 0 C5'-C4'-C3' 111.201 -2.866 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.172 0 C5'-C4'-C3' 111.273 -2.818 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.938 0 C5'-C4'-C3' 111.202 -2.865 . 0.012 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.474 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.852 0 C5'-C4'-C3' 110.983 -3.011 . 0.178 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.84 0 O4'-C1'-N19 111.053 2.853 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.01 178.35 6.05 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 -178.705 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.86 -156.09 0.63 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.101 -0.999 . . . . 0.0 109.927 -179.789 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.518 ' O ' ' HE3' ' A' ' 6' ' ' LYS . . . 84.52 3.81 88.16 Favored Glycine 0 N--CA 1.499 2.865 0 O-C-N 120.899 -1.125 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.407 ' OD2' ' NZ ' ' A' ' 7' ' ' LYS . 16.4 t70 -74.46 157.94 34.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.147 -1.207 . . . . 0.0 110.089 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.518 ' HE3' ' O ' ' A' ' 4' ' ' GLY . 4.9 mttt -140.27 107.37 5.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.208 -0.933 . . . . 0.0 109.05 179.603 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 2.2 mttp -145.41 -171.3 3.64 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.335 -0.853 . . . . 0.0 109.969 -179.44 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.542 ' OG ' ' HD2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -120.41 152.05 54.56 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.104 -0.997 . . . . 0.0 109.912 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.542 ' HD2' ' OG ' ' A' ' 8' ' ' SER . 32.6 Cg_endo -72.57 -29.63 13.02 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.538 2.159 . . . . 0.0 111.254 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 10' ' ' ILE . 49.2 mm -57.04 -52.07 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.069 -1.019 . . . . 0.0 109.614 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -43.36 63.09 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.962 -1.086 . . . . 0.0 109.642 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.92 -44.19 93.66 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.253 -0.905 . . . . 0.0 110.774 -179.606 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 24' ' ' VAL . 2.3 p -61.0 -45.76 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 120.754 -1.216 . . . . 0.0 108.731 179.084 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.492 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 13.6 m-70 -62.47 -40.26 96.08 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.45 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -56.97 15.27 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.571 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.4 mt -53.47 -43.79 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.46 -0.775 . . . . 0.0 109.61 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.59 -46.02 91.32 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.414 HG22 ' C8 ' ' B' ' 17' ' ' ' G' . 44.2 mt -70.17 -43.3 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.612 -0.934 . . . . 0.0 110.117 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -26.01 67.72 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.137 -0.977 . . . . 0.0 110.051 179.688 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 6.5 mmt180 -100.39 -71.03 0.72 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.187 -0.945 . . . . 0.0 110.08 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.535 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 168.26 -32.64 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.517 -0.74 . . . . 0.0 110.446 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.465 ' HG3' ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -59.43 124.12 19.01 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.229 -0.919 . . . . 0.0 111.099 -178.868 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.38 129.65 37.71 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.216 -0.928 . . . . 0.0 109.491 179.281 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.588 HG13 HG13 ' A' ' 13' ' ' VAL . 89.3 t -98.68 114.44 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.403 -0.811 . . . . 0.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.566 ' HB2' HG21 ' A' ' 45' ' ' ILE . 12.1 m-70 -129.83 126.55 38.31 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.073 -1.017 . . . . 0.0 110.401 -179.493 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.612 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 57.7 m-85 -105.37 140.99 37.64 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.439 -0.788 . . . . 0.0 110.025 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -147.61 132.13 17.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.152 -0.968 . . . . 0.0 109.833 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.403 HG13 ' CG ' ' A' ' 31' ' ' GLU . 35.8 t -95.61 149.45 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.141 -0.974 . . . . 0.0 109.214 179.644 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -100.79 -51.5 3.55 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.061 -1.024 . . . . 0.0 110.01 -179.473 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -148.81 132.89 17.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.298 -0.876 . . . . 0.0 109.983 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.525 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 18.2 mt-10 -125.48 112.09 15.84 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.599 -0.688 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.414 ' CG ' ' H ' ' A' ' 33' ' ' GLY . 3.3 tp10 49.86 -124.98 2.12 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.291 -0.881 . . . . 0.0 110.176 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' H ' ' CG ' ' A' ' 32' ' ' GLU . . . 136.99 -80.35 0.3 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.642 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -81.04 -79.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.222 0 C-N-CA 122.434 2.089 . . . . 0.0 110.662 179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 169.38 52.58 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.541 -0.724 . . . . 0.0 109.564 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -174.08 34.74 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.057 -1.027 . . . . 0.0 110.439 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mtt -154.23 62.48 0.7 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.166 -0.959 . . . . 0.0 108.745 179.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -68.6 71.62 0.21 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.464 -0.772 . . . . 0.0 110.395 -179.103 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -135.06 104.42 5.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.257 -0.902 . . . . 0.0 109.047 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.525 ' CE2' ' HB3' ' A' ' 31' ' ' GLU . 39.9 m-85 -91.69 103.88 16.41 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.096 -1.002 . . . . 0.0 109.893 -179.398 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 2.1 mp -90.55 92.06 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.119 -0.988 . . . . 0.0 109.926 -179.809 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.1 m -93.51 122.01 35.5 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.223 -0.923 . . . . 0.0 109.664 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.553 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -97.31 159.99 14.59 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.257 -0.902 . . . . 0.0 109.491 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.612 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -143.51 147.06 33.92 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.098 -1.001 . . . . 0.0 110.526 -179.731 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 25' ' ' HIS . 16.4 tt -122.75 145.28 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.035 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' CG1' ' O ' ' A' ' 46' ' ' VAL . 13.5 p -140.96 100.99 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 121.855 0.836 . . . . 0.0 109.717 -179.58 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' HA3' ' HG3' ' A' ' 22' ' ' MET . . . 62.86 -99.78 0.29 Allowed Glycine 0 N--CA 1.502 3.037 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.648 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.9 p -117.17 15.49 14.96 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.33 -1.1 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.422 HG22 HD12 ' A' ' 49' ' ' ILE . 48.5 mm -121.51 145.24 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.017 -1.052 . . . . 0.0 109.501 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -132.45 143.67 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.076 -1.015 . . . . 0.0 109.275 179.604 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -145.25 140.49 27.88 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.639 -0.663 . . . . 0.0 110.056 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.553 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.5 pm0 -99.04 144.14 28.52 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.968 -1.082 . . . . 0.0 110.065 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.96 80.58 0.33 Allowed Glycine 0 N--CA 1.497 2.745 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.493 ' HG3' ' NH1' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -65.35 66.99 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 CA-C-O 121.714 0.768 . . . . 0.0 110.864 179.891 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.535 ' HA3' ' CA ' ' A' ' 61' ' ' SER . . . -73.06 135.77 21.76 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 120.409 -1.432 . . . . 0.0 110.788 -179.636 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -82.4 -58.67 2.83 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.381 -1.07 . . . . 0.0 110.254 179.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.35 -29.34 0.16 Allowed Glycine 0 N--CA 1.504 3.225 0 O-C-N 120.963 -1.085 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -69.56 70.14 0.28 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.018 -1.283 . . . . 0.0 109.559 179.736 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.06 18.89 10.54 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.393 -0.817 . . . . 0.0 109.715 -178.852 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.562 ' O ' ' CB ' ' A' ' 61' ' ' SER . 2.6 t -115.23 157.02 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.297 -0.877 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 3.5 t 94.0 120.13 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.258 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 61' ' ' SER . 2.8 ttpp 81.41 -59.09 0.24 Allowed 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 -177.005 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.52 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 19.9 tttm -69.98 -66.23 0.62 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.12 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.523 ' HD3' ' CG1' ' A' ' 60' ' ' VAL . 18.1 ttt180 -46.94 -39.2 11.87 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.468 -0.77 . . . . 0.0 109.927 178.625 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.32 -50.33 73.27 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.365 -0.834 . . . . 0.0 109.686 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.37 -48.02 37.54 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.222 -0.923 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.524 ' HG2' ' HG3' ' A' ' 9' ' ' PRO . 3.1 mt-10 -53.56 -41.58 66.65 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.28 -0.888 . . . . 0.0 109.244 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.518 ' HE3' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -62.28 -54.86 34.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.464 -0.772 . . . . 0.0 109.808 179.544 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.5 ' HA ' ' CG ' ' A' ' 72' ' ' GLU . 1.9 ttt -59.21 -39.5 82.88 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.429 -0.794 . . . . 0.0 110.261 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 13' ' ' VAL . 20.0 mt -57.93 -44.16 86.73 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.134 -0.979 . . . . 0.0 110.962 -179.646 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.518 ' CG2' ' HE3' ' A' ' 68' ' ' LYS . 30.6 m -73.33 -41.67 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.762 -1.211 . . . . 0.0 110.97 -179.264 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 69' ' ' MET . 5.5 pt-20 -68.14 -46.16 71.59 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.72 -1.237 . . . . 0.0 109.628 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.1 mt -59.32 -36.26 75.31 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.093 -1.004 . . . . 0.0 109.375 178.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -79.65 0.38 30.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.229 -0.919 . . . . 0.0 110.32 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -113.78 -7.4 13.25 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.899 -1.125 . . . . 0.0 111.153 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 N--CA 1.493 1.701 0 O-C-N 120.901 -1.124 . . . . 0.0 110.125 -179.386 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.546 " H5'" ' OP1' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O4'-C1'-N19 111.222 3.022 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.546 ' OP1' " H5'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.931 0 C5'-C4'-C3' 110.835 -3.11 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.036 2.836 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.418 " H2'" ' C8 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.053 0 O4'-C1'-N19 111.121 2.921 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.418 ' C8 ' " H2'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.986 0 O4'-C1'-N19 111.069 2.869 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C5'-C4'-C3' 111.188 -2.875 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.021 0 C5'-C4'-C3' 111.24 -2.84 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.095 0 C5'-C4'-C3' 111.084 -2.944 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 0 C5'-C4'-C3' 111.454 -2.697 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.093 0 C5'-C4'-C3' 111.305 -2.797 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.586 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.003 0 O4'-C1'-N19 110.985 2.785 . 0.016 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.62 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.173 0 O4'-C1'-N19 111.133 2.933 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.608 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.179 0 O4'-C1'-N19 111.059 2.859 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.569 " H1'" ' N4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.28 0 C3'-C2'-C1' 104.599 3.444 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.571 ' H6 ' " O5'" ' B' ' 15' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.286 0 C5'-C4'-C3' 111.378 -2.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.569 ' N4 ' " H1'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.159 0 C5'-C4'-C3' 111.321 -2.786 . 0.447 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.908 ' N3 ' " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.175 0 C5'-C4'-C3' 110.91 -3.06 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.456 " O4'" ' N2 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.025 0 C5'-C4'-C3' 111.457 -2.695 . 0.01 1f . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.402 ' H22' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.037 0 C5'-C4'-C3' 110.937 -3.042 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.402 " H1'" ' H22' ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.86 0 C5'-C4'-C3' 110.837 -3.109 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.871 0 O4'-C1'-N19 111.136 2.936 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.596 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.918 0 O4'-C1'-N19 111.015 2.815 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.426 ' N3 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.075 0 C5'-C4'-C3' 111.339 -2.774 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.071 0 C5'-C4'-C3' 111.225 -2.85 . 0.206 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.937 0 C5'-C4'-C3' 111.232 -2.845 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.053 0 C5'-C4'-C3' 110.934 -3.044 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.811 0 C5'-C4'-C3' 111.126 -2.916 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.495 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.931 0 C5'-C4'-C3' 111.356 -2.763 . 0.054 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.624 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.069 0 C5'-C4'-C3' 111.256 -2.829 . 0.17 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.449 ' N3 ' ' N1 ' ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.012 0 C5'-C4'-C3' 111.194 -2.871 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -125.34 51.62 1.68 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.893 0.854 . . . . 0.0 109.904 -178.582 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -97.17 95.2 7.58 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.894 -1.129 . . . . 0.0 109.731 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' HD2' ' A' ' 6' ' ' LYS . . . -167.67 -81.09 0.05 OUTLIER Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.593 -1.289 . . . . 0.0 111.454 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.563 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 26.9 t0 62.12 57.26 2.07 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.506 -0.997 . . . . 0.0 109.765 -178.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.563 ' NZ ' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -150.5 -68.48 0.19 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.671 -1.268 . . . . 0.0 109.572 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -67.28 89.4 0.2 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.266 -0.897 . . . . 0.0 109.383 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.605 ' CB ' ' HB2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -102.81 144.62 28.98 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 121.391 -0.818 . . . . 0.0 110.534 -179.155 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -78.78 -59.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.816 2.344 . . . . 0.0 111.802 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mt -136.84 -46.3 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 120.776 -1.203 . . . . 0.0 111.119 -178.806 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.6 p -44.95 -73.4 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.284 -0.885 . . . . 0.0 111.482 -178.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.605 ' HB2' ' CB ' ' A' ' 8' ' ' SER . 0.4 OUTLIER -58.11 -30.05 65.97 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.939 -1.101 . . . . 0.0 110.338 -179.266 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.427 ' CG2' HD21 ' A' ' 70' ' ' LEU . 75.4 t -60.75 -41.8 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.62 -1.3 . . . . 0.0 107.817 177.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -65.66 -34.43 78.2 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.603 ' OE2' " H4'" ' B' ' 15' ' ' ' U' . 1.9 tm-20 -51.01 -51.12 56.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.614 -0.679 . . . . 0.0 109.217 178.661 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.473 HG21 HD12 ' A' ' 16' ' ' ILE . 14.5 tt -78.88 -38.4 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 120.927 -1.108 . . . . 0.0 110.3 179.493 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.66 -49.37 74.42 Favored Glycine 0 N--CA 1.504 3.231 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.592 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 2.9 mp -81.66 39.99 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.302 -1.116 . . . . 0.0 109.185 179.221 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.599 ' HE2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -144.85 -46.53 0.24 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.455 -1.403 . . . . 0.0 109.808 -179.547 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -98.92 35.15 1.93 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.119 -0.988 . . . . 0.0 110.12 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 50.06 39.73 19.84 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.174 -0.954 . . . . 0.0 109.851 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.465 ' HB3' HG23 ' A' ' 46' ' ' VAL . 15.6 mtt -106.31 108.86 20.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.955 -1.091 . . . . 0.0 110.259 -179.35 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.438 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -70.17 86.85 0.57 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.254 -0.904 . . . . 0.0 109.362 179.524 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG22 ' CG2' ' A' ' 46' ' ' VAL . 93.0 t -79.27 112.35 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.717 -0.614 . . . . 0.0 109.797 -179.53 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.543 ' HB2' HG23 ' A' ' 45' ' ' ILE . 8.5 m-70 -128.85 151.01 50.09 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.944 -1.098 . . . . 0.0 109.881 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' CB ' ' A' ' 44' ' ' CYS . 78.7 m-85 -130.41 135.98 48.58 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.344 -0.847 . . . . 0.0 110.133 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 12.5 tmtt? -154.22 126.71 8.01 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.135 -0.978 . . . . 0.0 110.124 179.777 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.746 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 46.0 t -76.07 135.29 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.97 -1.081 . . . . 0.0 109.439 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.478 HD22 ' HB1' ' A' ' 43' ' ' ALA . 7.5 mt -73.75 -60.97 2.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.02 -1.05 . . . . 0.0 109.603 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.98 153.37 3.8 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.451 0.643 . . . . 0.0 110.39 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 10.5 mp0 -104.92 143.91 32.51 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -73.06 63.26 0.67 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.94 -1.1 . . . . 0.0 110.3 -179.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' HG2' ' A' ' 37' ' ' MET . . . 104.19 169.77 24.98 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.606 ' O ' " H4'" ' B' ' 4' ' ' ' C' . 36.3 Cg_endo -78.7 -28.83 3.94 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.358 2.039 . . . . 0.0 111.209 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.529 ' HA ' " H4'" ' B' ' 4' ' ' ' C' . . . -150.9 170.32 19.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.105 -0.997 . . . . 0.0 109.941 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 66.05 12.46 8.48 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.503 -0.748 . . . . 0.0 110.582 -179.656 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -99.7 -39.91 8.02 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.864 -1.148 . . . . 0.0 109.817 179.639 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.5 36.87 3.83 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.507 -0.745 . . . . 0.0 111.418 179.399 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 56' ' ' ASN . 13.4 p30 -151.35 144.17 24.45 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.17 -0.956 . . . . 0.0 108.939 178.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -142.98 108.97 5.18 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.168 -0.957 . . . . 0.0 110.5 -178.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.672 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 3.0 mp -77.99 98.11 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.001 -1.062 . . . . 0.0 109.575 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.746 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 57.9 m -102.54 128.16 49.3 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.175 -0.953 . . . . 0.0 109.738 -179.883 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -100.73 149.36 23.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.128 -0.983 . . . . 0.0 109.656 179.479 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.624 ' O ' HG11 ' A' ' 50' ' ' VAL . 31.3 p -132.71 140.81 48.27 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.717 ' HA ' HG13 ' A' ' 50' ' ' VAL . 16.6 tt -126.34 136.6 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-O 121.071 0.462 . . . . 0.0 110.3 -179.26 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.549 ' HB ' ' HE1' ' A' ' 69' ' ' MET . 0.8 OUTLIER -135.56 148.05 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.223 -0.923 . . . . 0.0 109.616 179.78 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . -42.77 126.51 4.74 Favored Glycine 0 N--CA 1.502 3.039 0 O-C-N 121.206 -0.934 . . . . 0.0 110.867 -179.36 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 11.8 p 97.49 -56.21 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 122.811 0.444 . . . . 0.0 111.402 179.599 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.608 ' O ' ' HB ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -163.29 -170.47 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 120.664 -1.273 . . . . 0.0 109.983 -179.425 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.717 HG13 ' HA ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER 172.37 -162.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.161 -0.962 . . . . 0.0 111.474 179.368 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.688 ' OG1' ' HE2' ' A' ' 68' ' ' LYS . 0.6 OUTLIER -168.92 -176.44 2.66 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.455 -0.778 . . . . 0.0 109.737 -179.929 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.7 mp0 -114.53 -176.93 3.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.01 -1.056 . . . . 0.0 110.066 -179.496 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.84 105.24 0.27 Allowed Glycine 0 N--CA 1.497 2.754 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.572 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.672 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 1.3 pm0 -84.13 52.46 2.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.44 -1.035 . . . . 0.0 110.098 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.651 ' HA3' ' HB ' ' A' ' 60' ' ' VAL . . . -47.12 125.19 9.48 Favored Glycine 0 N--CA 1.503 3.12 0 O-C-N 121.021 -1.05 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -128.44 37.74 4.08 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.377 -1.072 . . . . 0.0 110.45 -179.588 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.88 -111.15 1.78 Allowed Glycine 0 N--CA 1.501 2.967 0 O-C-N 120.723 -1.235 . . . . 0.0 110.636 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -128.51 140.95 51.54 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.307 -1.114 . . . . 0.0 109.192 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 tptt 51.64 37.16 19.21 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.332 -0.855 . . . . 0.0 109.062 -178.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.651 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 18.5 m -104.36 142.87 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.315 -0.866 . . . . 0.0 110.714 -179.035 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.555 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 59.2 p 151.92 -90.91 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.292 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -66.58 -49.58 65.9 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.619 ' HE2' ' OE2' ' A' ' 67' ' ' GLU . 30.3 tttt -57.7 -38.18 74.78 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.348 -0.845 . . . . 0.0 110.289 179.284 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -52.92 27.32 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.921 -1.112 . . . . 0.0 109.494 179.694 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.91 94.4 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 109.255 179.488 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.34 65.86 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.322 -0.861 . . . . 0.0 110.038 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.619 ' OE2' ' HE2' ' A' ' 63' ' ' LYS . 5.2 mt-10 -56.16 -39.28 72.09 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.165 -0.959 . . . . 0.0 109.223 179.111 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.688 ' HE2' ' OG1' ' A' ' 51' ' ' THR . 1.9 tptt -63.45 -43.61 96.9 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.568 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 22.2 ttm -67.67 -50.68 56.54 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.274 -0.891 . . . . 0.0 109.32 178.474 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.427 HD21 ' CG2' ' A' ' 13' ' ' VAL . 90.0 mt -51.18 -49.35 61.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.363 -0.836 . . . . 0.0 110.104 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 68' ' ' LYS . 5.7 p -67.55 -34.75 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.913 -1.117 . . . . 0.0 109.408 179.516 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -48.87 77.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.481 -0.762 . . . . 0.0 109.624 179.368 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.476 HD21 ' HG2' ' A' ' 69' ' ' MET . 1.2 pp -79.56 -28.99 41.17 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.056 -1.028 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -75.27 4.79 6.45 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.748 -1.22 . . . . 0.0 110.381 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.29 -3.47 15.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.887 -1.133 . . . . 0.0 110.589 179.754 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.166 -179.878 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.007 0 O4'-C1'-N19 111.049 2.849 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.454 ' C6 ' ' N7 ' ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 1.972 0 O4'-C1'-N19 111.08 2.88 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.454 ' N7 ' ' C6 ' ' B' ' 2' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.105 0 C5'-C4'-C3' 110.782 -3.145 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.606 " H4'" ' O ' ' A' ' 34' ' ' PRO . . . . . . . . 0 O4'--C1' 1.442 2.346 0 O4'-C1'-N19 110.959 2.759 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.861 0 C5'-C4'-C3' 111.115 -2.923 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.949 0 C5'-C4'-C3' 111.05 -2.967 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.931 0 C5'-C4'-C3' 111.098 -2.934 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.033 0 C5'-C4'-C3' 111.251 -2.833 . 0.157 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.097 0 C5'-C4'-C3' 111.183 -2.878 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.032 0 C5'-C4'-C3' 111.31 -2.794 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.002 0 C5'-C4'-C3' 111.066 -2.956 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.428 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.034 0 C5'-C4'-C3' 111.206 -2.862 . 0.104 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.545 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.153 0 C5'-C4'-C3' 111.237 -2.842 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.43 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C3'-C2'-C1' 104.53 3.366 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.603 " H4'" ' OE2' ' A' ' 15' ' ' GLU . . . . . . . . 0 O4'--C4' 1.43 -1.957 0 C5'-C4'-C3' 111.263 -2.824 . 0.058 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.527 " H4'" " O5'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.794 0 O4'-C1'-N19 111.306 3.106 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.752 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.202 0 O4'-C1'-N19 111.321 3.121 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.752 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.095 0 C5'-C4'-C3' 111.421 -2.719 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.128 0 C5'-C4'-C3' 110.813 -3.125 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.937 0 C5'-C4'-C3' 111.117 -2.922 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.921 0 C5'-C4'-C3' 111.228 -2.848 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.079 0 C5'-C4'-C3' 111.094 -2.937 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.032 0 C5'-C4'-C3' 111.343 -2.771 . 0.027 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.916 0 C5'-C4'-C3' 111.22 -2.853 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C5'-C4'-C3' 111.125 -2.917 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.405 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.03 0 C5'-C4'-C3' 111.09 -2.94 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.406 " H2'" ' C6 ' ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.111 0 O4'-C1'-N19 110.874 2.674 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.441 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.975 0 C5'-C4'-C3' 111.171 -2.886 . 0.33 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 C5'-C4'-C3' 110.998 -3.001 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.054 2.854 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -131.97 -167.99 1.96 Allowed 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.644 -176.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -75.6 142.13 42.73 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.215 -0.928 . . . . 0.0 110.153 -179.476 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.464 ' O ' ' HE3' ' A' ' 6' ' ' LYS . . . 173.19 174.81 40.52 Favored Glycine 0 N--CA 1.498 2.824 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.458 ' O ' ' HE2' ' A' ' 6' ' ' LYS . 38.8 t70 -70.33 174.62 5.43 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.911 -0.758 . . . . 0.0 110.5 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' HE3' ' O ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -140.53 119.6 12.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.07 -1.019 . . . . 0.0 109.256 179.715 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.492 ' HE3' " H4'" ' B' ' 13' ' ' ' C' . 1.3 mptp? -59.78 143.18 51.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.145 -0.972 . . . . 0.0 110.275 -179.411 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.86 139.68 66.37 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.241 -0.912 . . . . 0.0 109.758 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' O ' ' HB ' ' A' ' 13' ' ' VAL . 33.1 Cg_endo -72.73 -28.23 14.08 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.318 2.012 . . . . 0.0 110.619 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.68 -42.32 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.396 -0.815 . . . . 0.0 109.01 179.025 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.49 -62.16 1.58 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.323 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.481 ' HA ' ' CD ' ' A' ' 15' ' ' GLU . 24.3 mt-30 -50.6 -40.94 54.02 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.388 -0.82 . . . . 0.0 111.253 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.559 HG22 ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -66.4 -40.31 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 120.539 -1.351 . . . . 0.0 109.128 179.721 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.453 ' O ' ' HB ' ' A' ' 18' ' ' ILE . 10.6 m-70 -73.69 -28.93 61.99 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.76 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.557 ' CB ' HO2' ' B' ' 15' ' ' ' U' . 4.1 mt-10 -55.25 -52.39 63.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.475 -0.765 . . . . 0.0 109.395 178.762 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -100.91 -34.94 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.193 -0.942 . . . . 0.0 110.128 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.544 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -64.33 -36.48 93.25 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 178.929 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.513 HG12 ' HB ' ' A' ' 24' ' ' VAL . 0.3 OUTLIER -99.99 -61.5 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.306 -1.114 . . . . 0.0 108.193 178.664 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 4.3 ttmt 35.62 -94.75 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.019 0.438 . . . . 0.0 110.332 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ILE . 2.4 ppt_? -164.43 27.44 0.07 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.109 -0.995 . . . . 0.0 109.709 178.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.14 -3.9 0.42 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.994 -1.066 . . . . 0.0 111.72 -179.348 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 3.1 mmt -133.9 140.48 46.84 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.848 -1.158 . . . . 0.0 109.208 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.411 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -93.26 82.53 4.52 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.865 -1.147 . . . . 0.0 110.904 -178.878 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.544 HG21 ' HA3' ' A' ' 17' ' ' GLY . 41.4 t -94.97 108.07 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.732 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -134.85 145.07 47.95 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.943 -1.098 . . . . 0.0 111.2 -178.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 72.6 m-85 -122.84 112.81 18.33 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -123.84 136.77 54.59 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.399 -0.813 . . . . 0.0 109.886 -179.446 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.544 ' HB ' ' HB2' ' A' ' 32' ' ' GLU . 44.1 t -85.47 156.67 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.904 -1.122 . . . . 0.0 109.688 179.564 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.3 mt -99.81 -38.52 8.63 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.016 -1.053 . . . . 0.0 109.587 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -108.72 142.84 38.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.504 -0.748 . . . . 0.0 110.333 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 16.2 tp10 61.32 -103.5 0.15 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.543 -0.723 . . . . 0.0 110.918 179.149 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.544 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 39.0 tt0 70.38 163.06 0.25 Allowed 'General case' 0 N--CA 1.507 2.399 0 O-C-N 121.145 -0.972 . . . . 0.0 110.326 -179.639 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 32' ' ' GLU . . . 133.65 -172.57 21.55 Favored Glycine 0 N--CA 1.499 2.857 0 O-C-N 120.751 -1.218 . . . . 0.0 110.398 179.486 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.458 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . 32.9 Cg_endo -75.87 -76.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.241 1.961 . . . . 0.0 110.199 179.758 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -96.57 3.75 52.41 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.355 -0.84 . . . . 0.0 110.362 179.208 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.528 ' O ' ' C ' ' A' ' 37' ' ' MET . 1.9 m-70 -71.56 64.16 0.43 Allowed 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.939 -1.101 . . . . 0.0 110.696 -179.722 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.528 ' C ' ' O ' ' A' ' 36' ' ' HIS . 60.7 mtp 22.0 69.85 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 121.267 0.556 . . . . 0.0 111.829 179.34 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' NZ ' ' O ' ' A' ' 34' ' ' PRO . 12.7 mtmm -48.55 121.71 4.79 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.227 -0.921 . . . . 0.0 110.344 -179.874 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.627 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 30.0 p30 -175.05 -173.49 0.69 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.773 -0.58 . . . . 0.0 110.532 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.569 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 24.3 m-85 80.51 137.04 0.06 Allowed 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.884 -0.51 . . . . 0.0 110.051 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.564 ' C ' ' O ' ' A' ' 40' ' ' PHE . 93.7 mt -16.76 107.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.682 0 CA-C-O 121.355 0.598 . . . . 0.0 111.306 179.746 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.427 ' OG1' HG21 ' A' ' 28' ' ' VAL . 1.3 m -95.26 135.92 36.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.506 -0.746 . . . . 0.0 109.082 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -94.2 126.4 39.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.842 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.471 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 20.7 p -121.56 147.52 45.7 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.826 -1.172 . . . . 0.0 110.373 -179.615 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.414 ' HB ' HG12 ' A' ' 50' ' ' VAL . 19.2 tt -134.9 145.41 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.511 -0.743 . . . . 0.0 109.868 -179.805 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.539 HG11 HG23 ' A' ' 24' ' ' VAL . 15.6 m -140.9 97.63 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.486 -0.759 . . . . 0.0 109.821 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.411 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 68.55 -95.86 0.4 Allowed Glycine 0 N--CA 1.502 3.041 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -119.38 14.2 12.84 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.4 -1.059 . . . . 0.0 110.841 -179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 98.5 mt -119.87 134.7 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.881 -1.137 . . . . 0.0 109.639 179.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.414 HG12 ' HB ' ' A' ' 45' ' ' ILE . 0.4 OUTLIER -129.58 143.02 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.148 -0.97 . . . . 0.0 109.486 179.766 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.438 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -152.58 139.26 18.82 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.518 -0.738 . . . . 0.0 109.397 -179.839 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 22.4 mt-10 -115.79 149.9 37.79 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.855 -1.153 . . . . 0.0 110.254 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . 156.75 160.34 10.02 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.688 ' CD ' ' HA ' ' A' ' 61' ' ' SER . 2.8 tt0 173.75 -107.83 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.381 -1.07 . . . . 0.0 109.758 -179.508 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.85 -157.23 12.48 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' HB3' ' HD1' ' A' ' 40' ' ' PHE . 0.3 OUTLIER 171.78 104.19 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.382 -1.069 . . . . 0.0 109.841 179.661 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.8 -23.95 0.92 Allowed Glycine 0 N--CA 1.498 2.82 0 C-N-CA 119.385 -1.388 . . . . 0.0 111.171 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.27 -163.52 1.53 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.806 -1.408 . . . . 0.0 109.213 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -74.37 66.04 1.29 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.79 -1.194 . . . . 0.0 109.227 179.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' A' ' 61' ' ' SER . 0.1 OUTLIER -124.37 142.56 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.48 -0.762 . . . . 0.0 110.114 -179.479 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.688 ' HA ' ' CD ' ' A' ' 54' ' ' GLU . 57.3 p 162.85 -91.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.792 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -22.71 13.82 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.11 -0.994 . . . . 0.0 109.774 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -88.5 -63.21 1.33 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.396 -0.815 . . . . 0.0 109.748 179.267 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' HB3' ' HG2' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -51.27 -57.58 8.47 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.619 -0.676 . . . . 0.0 112.153 -178.554 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.81 -38.77 64.89 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.793 -1.192 . . . . 0.0 109.126 -179.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.69 77.07 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.269 -0.894 . . . . 0.0 109.558 178.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -48.74 -48.36 40.77 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.389 -0.819 . . . . 0.0 109.108 179.166 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -63.94 -46.47 84.59 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.712 -0.617 . . . . 0.0 109.96 179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.457 ' SD ' HG13 ' A' ' 46' ' ' VAL . 2.7 mmt -62.84 -58.38 7.6 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.005 -1.059 . . . . 0.0 109.663 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.559 ' CD2' HG22 ' A' ' 13' ' ' VAL . 1.8 mm? -47.63 -53.19 15.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.46 -0.775 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.14 -31.18 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.032 -1.042 . . . . 0.0 110.312 -179.704 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.57 -54.33 9.46 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.117 -0.99 . . . . 0.0 109.99 179.615 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.61 -29.21 66.67 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.002 -1.061 . . . . 0.0 110.985 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -82.7 4.51 24.74 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.98 -1.075 . . . . 0.0 110.754 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.14 -0.84 8.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.971 -1.081 . . . . 0.0 110.907 -179.352 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 N--CA 1.488 1.457 0 O-C-N 121.145 -0.972 . . . . 0.0 110.073 -179.128 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.988 0 C5'-C4'-C3' 111.094 -2.938 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.19 0 O4'-C1'-N19 111.255 3.055 . 0.028 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.071 0 C5'-C4'-C3' 111.134 -2.911 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.647 ' H6 ' " O5'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.195 0 O4'-C1'-N19 111.227 3.027 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C5'-C4'-C3' 111.365 -2.756 . 0.033 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C5'-C4'-C3' 111.334 -2.777 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.97 0 O4'-C1'-N19 111.068 2.868 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.422 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.028 0 O4'-C1'-N19 110.866 2.666 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 O4'-C1'-N19 111.002 2.802 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.217 0 O4'-C1'-N19 111.169 2.969 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.645 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.239 0 O4'-C1'-N19 111.157 2.957 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.645 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.989 0 O4'-C1'-N19 110.757 2.557 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.492 " H4'" ' HE3' ' A' ' 7' ' ' LYS . . . . . . . . 0 O4'--C1' 1.441 2.215 0 O4'-C1'-N19 112.164 3.964 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 C3'-C2'-C1' 104.453 3.281 . 0.28 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.557 HO2' ' CB ' ' A' ' 15' ' ' GLU . . . . . . . . 0 O4'--C1' 1.441 2.231 0 C5'-C4'-C3' 111.131 -2.913 . 0.115 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.521 ' H6 ' " O5'" ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.147 0 C5'-C4'-C3' 110.858 -3.094 . 0.014 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.694 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 O4'-C1'-N19 110.948 2.748 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.694 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.098 0 C5'-C4'-C3' 111.295 -2.803 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.958 0 O4'-C1'-N19 111.013 2.813 . 0.038 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C5'-C4'-C3' 111.364 -2.757 . 0.283 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.069 0 C5'-C4'-C3' 111.122 -2.919 . 0.043 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.893 0 C5'-C4'-C3' 111.318 -2.788 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.968 0 C5'-C4'-C3' 111.255 -2.83 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . 0.457 " H2'" " O4'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.025 0 O4'-C1'-N19 110.969 2.769 . 0.363 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.457 " O4'" " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.986 0 O4'-C1'-N19 111.124 2.924 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.065 0 C5'-C4'-C3' 111.335 -2.776 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 111.346 -2.77 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.605 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.065 0 C5'-C4'-C3' 111.27 -2.82 . 0.093 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.043 0 C5'-C4'-C3' 110.904 -3.064 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.775 0 O4'-C1'-N19 111.135 2.935 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttt . . . . . 0 N--CA 1.497 1.914 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.99 56.26 1.69 Allowed 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.804 0.812 . . . . 0.0 110.932 -176.525 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 54.42 -161.37 0.14 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.256 -0.902 . . . . 0.0 110.839 178.455 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.53 146.24 15.32 Favored Glycine 0 N--CA 1.503 3.115 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 37.21 50.72 1.01 Allowed 'General case' 0 N--CA 1.508 2.435 0 O-C-N 121.784 -0.833 . . . . 0.0 111.154 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.76 45.17 0.58 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.245 -1.534 . . . . 0.0 109.724 179.145 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 8' ' ' SER . 11.7 ttmt -93.52 -39.05 11.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.425 -0.797 . . . . 0.0 109.696 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.588 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 4.1 p 175.14 173.84 0.26 Allowed Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.358 -0.839 . . . . 0.0 109.352 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.588 ' HD2' ' HB2' ' A' ' 8' ' ' SER . 32.6 Cg_endo -73.95 73.78 3.6 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 121.746 1.631 . . . . 0.0 111.796 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -138.78 -80.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.906 -1.122 . . . . 0.0 110.125 179.006 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.489 ' OG ' ' N2 ' ' B' ' 18' ' ' ' G' . 0.2 OUTLIER -51.58 -59.01 4.74 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.032 -1.043 . . . . 0.0 109.41 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -46.69 -42.48 16.58 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.501 -0.75 . . . . 0.0 110.058 178.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.59 -46.51 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.145 -0.972 . . . . 0.0 109.027 179.452 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.496 ' O ' HG22 ' A' ' 18' ' ' ILE . 9.4 m-70 -61.19 -45.95 92.48 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.782 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.52 ' CG ' HO2' ' B' ' 15' ' ' ' U' . 43.5 mt-10 -60.06 -50.99 71.55 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.664 -0.647 . . . . 0.0 109.725 179.22 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.71 -36.48 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.06 -1.025 . . . . 0.0 109.065 179.282 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.04 -42.14 96.81 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.626 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.496 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -85.75 -38.11 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 120.912 -1.346 . . . . 0.0 109.134 179.438 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -56.26 -26.31 51.17 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.263 -0.898 . . . . 0.0 110.644 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -109.99 -76.29 0.61 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.168 -0.958 . . . . 0.0 109.62 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 168.4 47.93 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.439 -0.788 . . . . 0.0 109.793 -179.662 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.51 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 26.7 mtt -131.18 118.68 20.8 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.704 -1.247 . . . . 0.0 111.079 -179.302 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -68.17 106.18 2.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.189 -0.944 . . . . 0.0 108.816 178.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 14' ' ' HIS . 18.4 t -72.9 103.73 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.166 -0.959 . . . . 0.0 109.629 -179.453 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.524 ' HB2' HG21 ' A' ' 45' ' ' ILE . 5.1 m-70 -124.09 112.5 17.2 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.878 -1.139 . . . . 0.0 109.836 -179.289 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.528 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 9.8 m-85 -119.63 119.43 33.73 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.522 -0.736 . . . . 0.0 109.963 -179.158 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.622 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 8.3 tttm -142.1 141.46 32.72 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.767 -1.208 . . . . 0.0 111.269 -179.627 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.653 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.0 t -79.09 140.51 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 O-C-N 121.156 -0.965 . . . . 0.0 110.126 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mt -73.29 -43.15 61.5 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.555 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -100.94 -171.3 1.98 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.345 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -94.07 160.25 14.79 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.961 -1.087 . . . . 0.0 110.812 -179.334 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -82.0 103.94 11.99 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.559 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -54.79 154.33 9.65 Favored Glycine 0 N--CA 1.508 3.445 0 O-C-N 121.471 -0.768 . . . . 0.0 113.262 -177.025 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -80.38 97.64 1.05 Allowed 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 123.114 2.543 . . . . 0.0 110.641 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 69.8 -64.43 0.35 Allowed 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.442 -0.786 . . . . 0.0 110.387 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 37' ' ' MET . 72.8 m80 -73.51 100.57 3.31 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.068 -1.02 . . . . 0.0 109.404 179.787 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 36' ' ' HIS . 45.8 mtm 65.34 79.04 0.26 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.553 0.692 . . . . 0.0 109.342 -179.435 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.613 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 33.0 mtpt -77.71 33.72 0.17 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.106 -0.996 . . . . 0.0 111.124 -179.594 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.613 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 6.8 t30 167.88 178.25 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.437 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.535 ' HA ' ' HA ' ' A' ' 56' ' ' ASN . 64.7 m-85 -150.14 -65.28 0.21 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.987 -1.071 . . . . 0.0 109.315 179.301 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.2 mt -140.74 120.46 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.264 -0.897 . . . . 0.0 108.857 179.401 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.653 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 89.0 m -107.32 122.43 46.55 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.208 -0.933 . . . . 0.0 109.55 -179.762 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.4 148.25 24.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.319 -0.863 . . . . 0.0 109.956 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.528 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 1.2 p -138.49 145.73 41.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.371 -0.831 . . . . 0.0 109.362 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.524 HG21 ' HB2' ' A' ' 25' ' ' HIS . 18.6 tt -134.48 148.43 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.146 -0.972 . . . . 0.0 109.995 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.515 ' O ' ' N ' ' A' ' 48' ' ' SER . 8.9 m -139.23 158.32 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.534 -0.729 . . . . 0.0 109.202 179.479 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.28 67.79 0.03 OUTLIER Glycine 0 N--CA 1.506 3.302 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.1 t 171.13 -41.17 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.708 -0.877 . . . . 0.0 109.746 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -158.83 -177.71 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.28 -0.887 . . . . 0.0 110.455 -179.597 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.437 HG21 HG13 ' A' ' 45' ' ' ILE . 2.7 t -129.53 157.69 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.159 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.43 ' HB ' ' SG ' ' A' ' 44' ' ' CYS . 1.8 m -150.69 156.04 40.54 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.894 -1.129 . . . . 0.0 110.535 -179.586 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.23 155.59 34.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.059 -1.025 . . . . 0.0 110.182 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.44 110.18 0.87 Allowed Glycine 0 N--CA 1.501 2.979 0 N-CA-C 109.109 -1.597 . . . . 0.0 109.109 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.3 54.93 0.08 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.413 -1.051 . . . . 0.0 112.198 -178.326 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.566 ' HA3' ' CA ' ' A' ' 61' ' ' SER . . . -77.92 94.28 1.21 Allowed Glycine 0 N--CA 1.505 3.236 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 178.338 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.535 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -124.96 -44.15 1.94 Allowed 'General case' 0 N--CA 1.507 2.385 0 O-C-N 121.628 -0.925 . . . . 0.0 111.987 -178.287 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.76 -129.13 1.31 Allowed Glycine 0 N--CA 1.503 3.118 0 O-C-N 120.725 -1.234 . . . . 0.0 111.534 -177.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 6.7 mtpp -84.18 128.51 34.61 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.309 -1.112 . . . . 0.0 109.656 -179.31 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.537 ' O ' ' CG1' ' A' ' 60' ' ' VAL . 16.7 mtpt 64.75 -155.37 0.29 Allowed 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -179.19 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.626 HG21 ' HB2' ' A' ' 64' ' ' ARG . 6.1 p 51.43 143.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.515 2.777 0 CA-C-O 122.864 1.316 . . . . 0.0 113.225 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 35.3 p 141.87 -88.08 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.889 179.515 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -67.94 -39.66 83.44 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.189 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' NZ ' ' OG ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -69.5 -61.36 1.82 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.431 -0.793 . . . . 0.0 108.998 177.99 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.626 ' HB2' HG21 ' A' ' 60' ' ' VAL . 31.1 ttt85 -49.43 -42.79 43.79 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.423 -0.798 . . . . 0.0 110.298 179.578 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.76 73.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 108.534 178.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.406 ' N ' ' HE2' ' A' ' 26' ' ' PHE . . . -75.28 -39.3 59.85 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.427 -0.796 . . . . 0.0 109.906 178.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.52 ' CD ' ' HA ' ' A' ' 64' ' ' ARG . 13.0 mt-10 -48.51 -56.68 7.67 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.61 -50.68 72.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.865 -0.522 . . . . 0.0 109.926 179.006 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.08 -54.48 20.17 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.1 -1.0 . . . . 0.0 110.375 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.8 mt -66.68 -43.41 84.56 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.843 -1.16 . . . . 0.0 110.185 179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 50.6 t -63.24 -29.14 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 O-C-N 121.085 -1.009 . . . . 0.0 110.128 179.654 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.446 ' HA ' ' NZ ' ' A' ' 75' ' ' LYS . 15.7 mt-10 -89.16 -42.91 11.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.795 -1.19 . . . . 0.0 109.878 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.0 mt -69.87 -41.71 74.44 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.539 -0.726 . . . . 0.0 110.399 179.501 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -75.21 7.38 3.45 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.861 -1.149 . . . . 0.0 110.212 179.394 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -124.52 5.95 8.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.323 -0.861 . . . . 0.0 109.936 -179.844 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.81 -1.091 . . . . 0.0 110.109 -179.662 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.848 0 C5'-C4'-C3' 111.23 -2.847 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 C5'-C4'-C3' 111.349 -2.768 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.425 ' N1 ' ' N3 ' ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.073 0 C5'-C4'-C3' 111.009 -2.994 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.482 HO2' " H5'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.15 0 O4'-C1'-N19 111.321 3.121 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.482 " H5'" HO2' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.995 0 C5'-C4'-C3' 111.251 -2.832 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.161 0 O4'-C1'-N19 111.093 2.893 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.97 0 C5'-C4'-C3' 111.233 -2.845 . 0.35 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.188 0 C5'-C4'-C3' 111.185 -2.877 . 0.039 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.899 0 O4'-C1'-N19 111.039 2.839 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.49 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.014 0 C5'-C4'-C3' 111.214 -2.857 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.8 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.12 0 O4'-C1'-N19 111.096 2.896 . 0.152 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.8 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.998 0 O4'-C1'-N19 110.794 2.594 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.714 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.324 0 O4'-C1'-N19 112.059 3.859 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.714 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C3'-C2'-C1' 104.853 3.726 . 0.157 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.52 HO2' ' CG ' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.614 2.051 0 O4'-C1'-N19 111.041 2.841 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.406 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.073 0 C5'-C4'-C3' 111.358 -2.762 . 0.253 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.6 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 C5'-C4'-C3' 110.942 -3.038 . 0.158 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.6 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.12 0 C5'-C4'-C3' 111.044 -2.971 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.481 ' H22' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.824 0 C5'-C4'-C3' 110.846 -3.103 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.557 " O2'" " H5'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.015 0 O4'-C1'-N19 111.052 2.852 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.557 " H5'" " O2'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.943 0 C5'-C4'-C3' 111.104 -2.93 . 0.111 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.431 " O4'" " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.159 0 C5'-C4'-C3' 111.117 -2.922 . 0.019 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 0.434 ' H8 ' " O5'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.898 0 C5'-C4'-C3' 111.255 -2.83 . 0.181 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.969 0 C5'-C4'-C3' 111.125 -2.917 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.537 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.975 0 O4'-C1'-N19 111.094 2.894 . 0.2 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.537 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.153 0 C5'-C4'-C3' 111.251 -2.833 . 0.179 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.417 HO2' " H5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.041 0 C5'-C4'-C3' 111.396 -2.736 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.425 ' N3 ' ' N1 ' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.184 0 O4'-C1'-N19 111.056 2.856 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.123 0 O4'-C1'-N19 111.142 2.942 . 0.242 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C5'-C4'-C3' 111.31 -2.794 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ptm . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 54.66 27.69 8.99 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-O 121.256 0.55 . . . . 0.0 111.225 179.416 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' OE2' ' NZ ' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -154.3 -174.72 5.08 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.862 -1.149 . . . . 0.0 109.704 179.529 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.08 -80.16 0.05 OUTLIER Glycine 0 N--CA 1.499 2.855 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -95.19 177.39 5.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.379 -1.071 . . . . 0.0 109.797 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' NZ ' ' OE2' ' A' ' 3' ' ' GLU . 0.4 OUTLIER 176.35 -37.44 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.611 -0.681 . . . . 0.0 109.213 -179.856 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.52 ' C ' ' HD3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -94.26 67.49 3.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.198 -0.939 . . . . 0.0 109.339 179.745 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.3 p -114.16 76.35 3.49 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.354 -0.841 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.52 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 36.4 Cg_endo -79.93 -60.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 122.563 2.176 . . . . 0.0 111.412 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.467 ' CG2' ' CD2' ' A' ' 14' ' ' HIS . 68.4 mt -137.87 -42.01 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.34 -0.85 . . . . 0.0 110.495 -178.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.43 -64.02 0.77 Allowed 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.275 -0.891 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -55.22 -36.03 65.54 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.351 -0.843 . . . . 0.0 110.471 -179.585 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.97 -43.75 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.581 -1.324 . . . . 0.0 108.491 178.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.502 ' HB3' ' C8 ' ' B' ' 17' ' ' ' G' . 10.8 m-70 -67.77 -38.71 83.78 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.811 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.568 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -66.03 -47.0 75.85 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.123 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.553 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 52.0 mt -58.71 -44.38 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.038 -1.039 . . . . 0.0 109.144 179.131 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.05 -50.83 57.99 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 178.533 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.514 HG23 ' O ' ' A' ' 18' ' ' ILE . 37.5 mm -80.08 64.65 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.234 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -168.07 -38.36 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.283 -0.885 . . . . 0.0 109.728 -179.204 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.574 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.2 tpm_? -109.27 -53.22 2.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.097 -1.002 . . . . 0.0 110.525 179.623 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 163.17 -18.64 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.645 0 O-C-N 121.798 -0.564 . . . . 0.0 111.45 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.49 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 1.1 mtp -75.56 127.64 33.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.758 -1.214 . . . . 0.0 111.655 -178.205 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 1.1 m -78.11 132.93 37.9 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.463 -0.773 . . . . 0.0 109.375 179.07 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 24' ' ' VAL . 14.3 p -87.47 90.57 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.932 -1.105 . . . . 0.0 109.649 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.546 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 17.5 m-70 -108.42 114.21 27.88 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.786 -1.197 . . . . 0.0 110.288 -179.245 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -106.43 147.52 29.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 110.006 179.786 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -158.21 111.31 2.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.227 -0.921 . . . . 0.0 109.578 179.577 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.536 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 47.9 t -56.86 143.81 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 121.086 -1.009 . . . . 0.0 109.621 -179.741 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.491 HD11 ' HG2' ' A' ' 54' ' ' GLU . 12.6 mt -72.13 -50.6 26.67 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.277 -0.89 . . . . 0.0 109.131 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 17.8 ptt-85 -163.63 111.21 1.17 Allowed 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.975 179.209 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 66.02 162.92 0.16 Allowed 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.686 0.755 . . . . 0.0 111.54 179.089 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HG3' ' HE2' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -161.53 23.75 0.12 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.569 -0.707 . . . . 0.0 109.865 179.663 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.45 136.54 0.54 Allowed Glycine 0 N--CA 1.495 2.576 0 O-C-N 120.954 -1.091 . . . . 0.0 110.393 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.591 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 33.1 Cg_endo -76.36 68.39 6.83 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.407 2.071 . . . . 0.0 108.99 178.93 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 34' ' ' PRO . . . 76.04 -58.16 0.55 Allowed 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -177.857 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.591 ' CE1' ' HG2' ' A' ' 34' ' ' PRO . 40.7 p-80 -92.5 164.56 13.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 109.03 178.37 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.58 ' HA ' ' HG3' ' A' ' 58' ' ' LYS . 1.9 tpp 58.37 41.41 23.09 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.063 -1.023 . . . . 0.0 110.479 -179.874 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -66.46 121.15 14.67 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.11 -0.994 . . . . 0.0 109.314 179.484 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.578 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 2.2 m120 -133.35 -179.68 5.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.461 -0.774 . . . . 0.0 110.656 -179.189 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.639 ' N ' ' CD1' ' A' ' 40' ' ' PHE . 0.5 OUTLIER 68.41 -149.09 0.14 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.491 -0.756 . . . . 0.0 109.843 178.317 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.641 ' HA ' ' HA ' ' A' ' 61' ' ' SER . 0.9 OUTLIER -151.88 -76.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.868 -1.145 . . . . 0.0 109.947 -179.436 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.64 ' HB ' ' O ' ' A' ' 41' ' ' ILE . 8.9 t 141.27 168.74 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.76 0 CA-C-O 121.751 0.786 . . . . 0.0 109.916 -179.537 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.577 ' HB3' ' HB3' ' A' ' 52' ' ' GLU . . . -107.71 153.14 23.37 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.072 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.566 ' HB3' ' SD ' ' A' ' 69' ' ' MET . 54.1 t -146.74 140.51 25.94 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.914 -1.116 . . . . 0.0 110.375 -179.543 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.546 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -127.75 136.06 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.178 -0.952 . . . . 0.0 109.555 179.491 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.563 HG21 HD22 ' A' ' 73' ' ' LEU . 6.7 m -127.52 107.45 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.467 -0.77 . . . . 0.0 109.806 -179.784 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.92 -104.48 0.67 Allowed Glycine 0 N--CA 1.499 2.873 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 p -113.6 16.19 18.74 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.347 -1.09 . . . . 0.0 110.704 -179.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.0 mt -123.39 134.53 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.913 -1.117 . . . . 0.0 109.825 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.9 t -113.38 152.45 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.074 -1.016 . . . . 0.0 109.21 179.373 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.619 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 3.2 m -159.94 111.35 1.98 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.304 -0.872 . . . . 0.0 109.36 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 2.1 pm0 -123.58 164.19 19.5 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.364 -0.835 . . . . 0.0 110.031 -179.24 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.507 ' O ' ' HB ' ' A' ' 41' ' ' ILE . . . -160.66 168.79 36.22 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.869 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.575 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 3.5 mt-10 -139.08 105.04 5.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.487 -1.008 . . . . 0.0 110.712 179.825 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.487 ' H ' HG12 ' A' ' 41' ' ' ILE . . . -76.1 168.77 54.83 Favored Glycine 0 N--CA 1.498 2.825 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 178.24 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -139.18 96.39 3.1 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.182 -1.775 . . . . 0.0 111.756 -179.408 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.34 149.58 5.0 Favored Glycine 0 N--CA 1.494 2.53 0 C-N-CA 119.959 -1.115 . . . . 0.0 110.951 178.367 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.58 ' HG3' ' HA ' ' A' ' 37' ' ' MET . 5.6 tttt -70.04 55.83 0.14 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.585 -0.95 . . . . 0.0 110.456 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' HE2' ' O ' ' A' ' 59' ' ' LYS . 5.3 ttpt -167.09 37.92 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.902 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.546 ' O ' ' CB ' ' A' ' 61' ' ' SER . 1.2 p -171.96 174.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -178.42 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.641 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 1.8 t 90.12 123.09 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 122.001 0.905 . . . . 0.0 109.396 -179.798 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.62 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 11.0 mttm 69.58 44.57 0.88 Allowed 'General case' 0 N--CA 1.503 2.22 0 CA-C-O 122.964 1.364 . . . . 0.0 107.433 -177.529 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 0.9 OUTLIER -177.68 -60.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 -179.394 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.638 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -64.08 -39.0 93.09 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.939 178.374 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.593 ' CB ' HG22 ' A' ' 41' ' ' ILE . . . -55.5 -50.83 68.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.385 -0.822 . . . . 0.0 109.363 -179.367 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.38 95.22 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.575 -0.703 . . . . 0.0 110.384 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.638 ' HG3' ' HA ' ' A' ' 64' ' ' ARG . 1.7 mt-10 -52.07 -49.73 62.92 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.299 -0.876 . . . . 0.0 108.993 179.289 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 72' ' ' GLU . 23.7 tttm -61.03 -51.55 68.71 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.546 -0.721 . . . . 0.0 109.294 178.796 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.619 ' SD ' ' HB ' ' A' ' 51' ' ' THR . 3.0 tpt -53.34 -49.44 67.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.355 -0.84 . . . . 0.0 110.447 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.3 mt -69.76 -51.31 35.12 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.011 -1.055 . . . . 0.0 110.57 -179.477 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 68' ' ' LYS . 3.3 p -58.01 -38.32 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.036 -1.04 . . . . 0.0 110.249 -179.661 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -76.72 -45.45 29.32 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.977 -1.077 . . . . 0.0 109.481 179.375 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD22 HG21 ' A' ' 46' ' ' VAL . 21.5 mt -59.67 -30.07 68.5 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.11 -0.994 . . . . 0.0 109.57 179.224 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.57 8.95 17.44 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.213 -0.929 . . . . 0.0 109.845 178.85 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -126.65 -3.52 6.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.05 -1.031 . . . . 0.0 110.978 -179.397 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.409 -0.807 . . . . 0.0 110.431 -179.652 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.061 0 C5'-C4'-C3' 111.146 -2.903 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.447 " O2'" ' NZ ' ' A' ' 58' ' ' LYS . . . . . . . . 0 P--O5' 1.613 1.953 0 C5'-C4'-C3' 110.903 -3.065 . 0.173 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.103 0 C5'-C4'-C3' 111.164 -2.89 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.207 0 O4'-C1'-N19 111.189 2.989 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.082 0 C5'-C4'-C3' 111.065 -2.957 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.998 0 C5'-C4'-C3' 111.224 -2.85 . 0.048 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.946 0 C5'-C4'-C3' 110.957 -3.028 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.926 0 C5'-C4'-C3' 111.272 -2.819 . 0.099 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.093 0 C5'-C4'-C3' 111.25 -2.833 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.439 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.015 0 C5'-C4'-C3' 111.052 -2.965 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.804 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.125 0 O4'-C1'-N19 111.116 2.916 . 0.099 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.804 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.938 0 O4'-C1'-N19 111.011 2.811 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.606 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.082 0 O4'-C1'-N19 112.007 3.807 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.606 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.293 0 C3'-C2'-C1' 104.379 3.199 . 0.422 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.848 0 C5'-C4'-C3' 110.954 -3.031 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.549 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.264 0 C5'-C4'-C3' 111.242 -2.839 . 0.371 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.795 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.03 0 C5'-C4'-C3' 111.277 -2.815 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.795 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.147 0 O4'-C1'-N19 111.012 2.812 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.762 0 C5'-C4'-C3' 110.924 -3.051 . 0.025 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.913 0 C5'-C4'-C3' 110.911 -3.059 . 0.073 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.418 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.984 0 O4'-C1'-N19 111.154 2.954 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.418 ' C2 ' ' C2 ' ' B' ' 21' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.193 0 O4'-C1'-N19 111.099 2.899 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.046 0 C5'-C4'-C3' 111.038 -2.975 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.179 0 C5'-C4'-C3' 111.331 -2.779 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.428 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.143 0 O4'-C1'-N19 111.102 2.902 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.496 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.126 0 O4'-C1'-N19 111.091 2.891 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 C5'-C4'-C3' 111.277 -2.815 . 0.443 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.481 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.988 0 C5'-C4'-C3' 111.222 -2.852 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.573 HO2' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 P--O5' 1.614 2.073 0 O4'-C1'-N19 110.983 2.783 . 0.203 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.532 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.155 0 C5'-C4'-C3' 110.961 -3.026 . 0.393 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpt . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.921 0.391 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.04 49.23 20.59 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.574 -0.704 . . . . 0.0 110.934 178.406 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -128.72 150.73 50.14 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.038 -1.039 . . . . 0.0 110.133 179.49 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.64 75.57 1.15 Allowed Glycine 0 N--CA 1.5 2.934 0 N-CA-C 110.371 -1.091 . . . . 0.0 110.371 179.306 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.504 ' O ' ' HE2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -71.62 49.01 0.16 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.78 -0.835 . . . . 0.0 110.388 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 5' ' ' ASP . 12.8 mmtt -143.89 110.79 5.68 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.805 -1.184 . . . . 0.0 109.239 179.854 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -140.82 5.59 1.97 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.4 -0.812 . . . . 0.0 110.804 -179.475 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.0 t -135.6 103.36 10.24 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.04 -1.037 . . . . 0.0 109.471 179.723 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -80.54 26.1 0.6 Allowed 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 122.664 2.243 . . . . 0.0 111.873 -179.682 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 HG23 " O2'" ' B' ' 18' ' ' ' G' . 43.7 mm -71.66 -61.21 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.7 -1.25 . . . . 0.0 110.412 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.7 t -45.21 -60.35 2.16 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.313 -0.867 . . . . 0.0 110.501 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -43.56 34.35 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.292 -0.88 . . . . 0.0 110.802 -179.626 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.63 -44.59 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 120.767 -1.208 . . . . 0.0 108.89 179.29 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.411 ' CD2' HO2' ' B' ' 18' ' ' ' G' . 29.0 m-70 -65.87 -43.29 88.81 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.702 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.615 ' HG2' HO2' ' B' ' 15' ' ' ' U' . 34.4 mt-10 -58.94 -51.07 71.64 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.424 -0.797 . . . . 0.0 109.436 179.076 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 48.1 mt -65.74 -49.18 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.234 -0.916 . . . . 0.0 109.501 179.822 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.517 ' HA2' ' HG2' ' A' ' 22' ' ' MET . . . -54.69 -46.84 73.66 Favored Glycine 0 N--CA 1.498 2.795 0 N-CA-C 109.816 -1.313 . . . . 0.0 109.816 179.505 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.431 HG13 " O4'" ' B' ' 17' ' ' ' G' . 20.7 mm -66.38 -43.43 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.663 -0.904 . . . . 0.0 109.686 179.387 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 9.9 tttt -71.17 -26.53 63.02 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.186 -0.946 . . . . 0.0 110.587 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.602 ' O ' ' HB3' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -89.25 -59.54 2.19 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.089 -1.007 . . . . 0.0 109.996 -179.787 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.602 ' HB3' ' O ' ' A' ' 20' ' ' ARG . 44.0 p-10 145.92 -21.31 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.701 0 CA-C-O 121.23 0.538 . . . . 0.0 109.589 -179.452 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.567 ' HB2' HG11 ' A' ' 46' ' ' VAL . 1.4 ptt? -58.15 137.86 56.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.267 -0.896 . . . . 0.0 111.402 -178.614 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.48 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -79.39 103.78 9.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.235 -0.916 . . . . 0.0 109.675 179.49 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 t -76.51 91.72 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.117 -0.989 . . . . 0.0 109.528 179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.564 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 14.3 m-70 -116.35 105.71 12.83 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.07 -1.019 . . . . 0.0 110.377 -179.459 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -90.7 137.97 31.94 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.243 -0.91 . . . . 0.0 109.714 179.503 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -140.97 165.77 26.64 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.146 -0.971 . . . . 0.0 110.024 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.2 p -131.55 144.35 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.887 -1.133 . . . . 0.0 109.31 179.652 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 8.3 mt -85.95 -60.17 2.09 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.235 -0.916 . . . . 0.0 108.648 179.67 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 9.0 ttp180 169.07 170.2 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.519 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -106.53 160.34 15.49 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.583 -0.698 . . . . 0.0 109.407 179.545 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.54 17.64 9.79 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.044 -1.035 . . . . 0.0 110.395 179.915 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.81 138.23 3.96 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 179.371 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -74.87 -26.38 11.24 Favored 'Trans proline' 0 C--N 1.316 -1.183 0 C-N-CA 122.372 2.048 . . . . 0.0 110.694 179.298 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.37 -55.13 2.41 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.494 -0.754 . . . . 0.0 109.259 179.395 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -90.81 138.47 31.56 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.245 -0.909 . . . . 0.0 109.095 179.332 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 63.0 mtm 54.7 56.27 6.93 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-O 121.829 0.823 . . . . 0.0 109.571 -179.705 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.58 ' NZ ' " O2'" ' B' ' 3' ' ' ' A' . 39.8 mtpt -73.04 72.74 1.16 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.263 -0.898 . . . . 0.0 111.211 -179.006 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -115.22 144.73 43.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.281 -0.887 . . . . 0.0 108.907 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.519 ' CE1' ' HB3' ' A' ' 31' ' ' GLU . 45.1 m-85 -126.86 105.08 8.4 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.944 -1.098 . . . . 0.0 110.294 -179.533 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 mt -88.95 117.91 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.079 -1.013 . . . . 0.0 110.011 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.552 ' OG1' ' HB2' ' A' ' 61' ' ' SER . 29.8 m -112.1 137.59 49.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.337 -0.852 . . . . 0.0 109.694 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.95 126.91 53.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.182 -0.949 . . . . 0.0 109.586 179.727 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.535 ' HB3' ' HG3' ' A' ' 69' ' ' MET . 46.8 t -114.16 137.1 52.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.069 -1.019 . . . . 0.0 110.08 -179.824 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.564 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -117.42 137.16 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.343 -0.848 . . . . 0.0 109.012 179.238 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.567 HG11 ' HB2' ' A' ' 22' ' ' MET . 20.3 t -131.63 107.81 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.385 -0.822 . . . . 0.0 109.69 -179.5 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.72 -94.67 0.09 OUTLIER Glycine 0 N--CA 1.502 3.061 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -126.0 21.15 7.54 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.308 -1.113 . . . . 0.0 110.42 -179.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 mp -127.44 143.58 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.0 -1.063 . . . . 0.0 109.548 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.459 HG21 HG12 ' A' ' 45' ' ' ILE . 1.3 t -122.83 146.61 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.001 -1.062 . . . . 0.0 109.602 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.666 ' HB ' ' HG2' ' A' ' 69' ' ' MET . 23.5 m -140.67 126.05 18.79 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.45 -0.781 . . . . 0.0 109.94 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -95.63 152.51 18.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.332 -0.855 . . . . 0.0 109.802 179.668 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -146.17 122.76 1.71 Allowed Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.239 -1.545 . . . . 0.0 109.239 179.884 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.56 95.32 9.54 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.237 -1.155 . . . . 0.0 109.997 -179.403 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.681 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -89.14 152.13 22.57 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 109.779 -1.328 . . . . 0.0 109.779 179.404 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.71 -55.61 3.57 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.187 -1.184 . . . . 0.0 110.076 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.08 163.39 22.16 Favored Glycine 0 N--CA 1.5 2.94 0 O-C-N 120.976 -1.078 . . . . 0.0 110.494 -179.625 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -52.22 -38.02 56.75 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.505 -0.997 . . . . 0.0 110.665 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -84.43 7.75 18.63 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.048 -1.033 . . . . 0.0 110.795 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.12 -36.42 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 120.865 -1.147 . . . . 0.0 110.23 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.681 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 59.7 p -54.87 -69.93 0.12 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.216 -0.928 . . . . 0.0 110.207 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -40.96 71.21 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.408 -0.807 . . . . 0.0 110.034 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 16.1 tttm -63.93 -62.28 1.74 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.386 -0.821 . . . . 0.0 110.073 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -55.94 -40.41 73.11 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.43 -0.794 . . . . 0.0 109.942 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.467 ' HB1' ' HB ' ' A' ' 42' ' ' THR . . . -64.33 -43.86 93.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.328 -0.857 . . . . 0.0 109.445 179.625 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.83 -46.77 70.89 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.289 -0.882 . . . . 0.0 110.044 179.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 41.6 mt-10 -55.72 -47.91 76.08 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.301 -0.874 . . . . 0.0 109.532 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -60.95 -38.34 85.54 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.407 -0.808 . . . . 0.0 109.364 178.835 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.666 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -64.22 -42.65 96.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.987 . . . . 0.0 109.597 179.265 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.78 -51.11 68.37 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.095 -1.003 . . . . 0.0 110.55 -179.845 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.37 -40.55 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.014 -1.053 . . . . 0.0 110.233 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -51.11 30.68 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.151 -0.968 . . . . 0.0 109.606 179.426 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 73' ' ' LEU . 1.1 mm? -69.49 -3.08 13.08 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.229 -0.919 . . . . 0.0 110.988 179.8 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -19.84 60.03 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.523 -1.361 . . . . 0.0 109.856 179.746 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -106.25 -29.2 9.95 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.233 -0.917 . . . . 0.0 110.159 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.9 mt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.511 -179.891 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.693 " H1'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C5'-C4'-C3' 110.691 -3.206 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.693 " O4'" " H1'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.769 0 O4'-C1'-N19 111.052 2.852 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.631 ' H8 ' " O5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.617 2.359 0 O4'-C1'-N19 111.304 3.104 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.547 ' C6 ' " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.441 2.24 0 O4'-C1'-N19 111.121 2.921 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.498 ' C8 ' " H2'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.099 0 O4'-C1'-N19 110.961 2.761 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . 0.441 ' C8 ' " H2'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.177 0 O4'-C1'-N19 111.139 2.939 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.407 ' O2 ' " H2'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.258 0 O4'-C1'-N19 111.271 3.071 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.441 ' N3 ' ' N1 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.616 2.342 0 C5'-C4'-C3' 111.126 -2.916 . 0.129 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . 0.732 " O2'" ' H6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.244 0 C3'-C2'-C1' 103.927 2.696 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.732 ' H6 ' " O2'" ' B' ' 9' ' ' ' G' . . . . . . . . 0 P--O5' 1.619 2.633 0 O4'-C1'-N19 111.518 3.318 . 0.01 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.765 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.3 0 O4'-C1'-N19 111.246 3.046 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.765 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.996 0 O4'-C1'-N19 111.244 3.044 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.585 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.063 0 O4'-C1'-N19 111.729 3.529 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.756 " H2'" ' O2 ' ' B' ' 14' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.506 -2.187 0 C5'-C4'-C3' 111.196 -2.869 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.615 HO2' ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.614 2.05 0 C3'-C2'-C1' 104.294 3.105 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.403 " O4'" ' C4 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.147 0 C5'-C4'-C3' 111.639 -2.574 . 0.677 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.846 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.448 0 O4'-C1'-N19 111.123 2.923 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.605 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.138 0 C5'-C4'-C3' 111.346 -2.769 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.913 0 C5'-C4'-C3' 111.019 -2.987 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.547 ' H8 ' ' OP2' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.397 0 C5'-C4'-C3' 111.219 -2.854 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.54 ' C4 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.294 0 O4'-C1'-N19 110.847 2.647 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 1.012 " H1'" " O4'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.679 0 C4'-C3'-C2' 105.507 2.807 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . 1.012 " O4'" " H1'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.62 2.747 0 P-O3'-C3' 124.124 3.687 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . 0.582 " H2'" ' N3 ' ' B' ' 24' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.994 0 C5'-C4'-C3' 110.853 -3.098 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.877 0 O4'-C1'-N19 111.169 2.969 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.466 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.12 0 O4'-C1'-N19 111.1 2.9 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.082 0 O4'-C1'-N19 111.079 2.879 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.571 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.13 0 O4'-C1'-N19 111.221 3.021 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.535 " H2'" ' C5 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.169 0 C5'-C4'-C3' 111.152 -2.898 . 0.329 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.652 ' H6 ' " O5'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.463 0 C5'-C4'-C3' 111.167 -2.889 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 ptt? . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.63 -177.88 5.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.558 -0.714 . . . . 0.0 110.498 -179.504 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 45.29 31.28 0.79 Allowed 'General case' 0 N--CA 1.505 2.281 0 CA-C-O 121.567 0.699 . . . . 0.0 110.475 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.65 34.62 2.14 Favored Glycine 0 N--CA 1.501 3.021 0 O-C-N 120.716 -1.24 . . . . 0.0 110.408 -179.874 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -135.92 162.56 32.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -1.181 . . . . 0.0 110.493 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.7 36.81 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.402 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 8' ' ' SER . 7.0 mttt -117.68 -39.55 3.12 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.651 -0.656 . . . . 0.0 110.54 -178.531 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.56 ' OG ' ' HG2' ' A' ' 63' ' ' LYS . 1.6 m 77.96 87.59 0.07 OUTLIER Pre-proline 0 N--CA 1.508 2.464 0 O-C-N 121.573 -0.704 . . . . 0.0 109.429 -179.213 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -76.0 84.13 1.85 Allowed 'Trans proline' 0 C--N 1.317 -1.118 0 C-N-CA 122.324 2.016 . . . . 0.0 111.939 -179.153 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.55 -47.55 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.112 -0.993 . . . . 0.0 109.559 179.143 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.51 -59.32 3.86 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.246 -0.909 . . . . 0.0 110.017 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -51.37 -37.78 49.86 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.51 -0.744 . . . . 0.0 110.555 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.27 -46.65 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.812 -1.18 . . . . 0.0 108.05 178.61 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.458 ' CG ' HG12 ' A' ' 24' ' ' VAL . 35.6 m-70 -64.55 -40.09 94.94 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.134 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.62 ' HG2' HO2' ' B' ' 15' ' ' ' U' . 17.1 mt-10 -59.57 -54.93 40.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.584 -0.697 . . . . 0.0 109.367 179.002 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.1 -38.62 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.277 -0.889 . . . . 0.0 109.558 179.764 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.625 ' HA3' HG22 ' A' ' 24' ' ' VAL . . . -62.06 -58.35 13.13 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.626 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.26 -43.79 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.264 -1.139 . . . . 0.0 108.563 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 18.8 mmtt -56.24 -33.65 65.61 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.37 -0.831 . . . . 0.0 109.709 178.91 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -97.78 22.25 9.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.264 -0.897 . . . . 0.0 110.212 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.8 37.22 27.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.12 -0.987 . . . . 0.0 110.544 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.509 ' HB3' HG11 ' A' ' 46' ' ' VAL . 5.7 mmt -102.68 156.66 17.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.855 -1.153 . . . . 0.0 110.352 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.461 ' OG1' ' HA ' ' A' ' 46' ' ' VAL . 23.0 p -67.51 -55.53 13.17 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.317 -0.864 . . . . 0.0 110.751 -179.483 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.625 HG22 ' HA3' ' A' ' 17' ' ' GLY . 4.3 t 64.2 65.38 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.543 -0.723 . . . . 0.0 109.823 -179.35 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.677 ' HB2' HG23 ' A' ' 45' ' ' ILE . 5.3 m-70 -110.16 101.47 10.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.69 -1.257 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.483 ' CD1' ' HB2' ' A' ' 44' ' ' CYS . 17.0 m-85 -91.69 121.1 33.03 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.553 -0.717 . . . . 0.0 109.164 179.562 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -155.29 148.22 24.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.828 -1.17 . . . . 0.0 111.236 -179.609 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 49.1 t -96.95 160.64 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.262 -0.898 . . . . 0.0 108.596 178.794 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 mt -98.32 -71.34 0.69 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.889 -1.132 . . . . 0.0 109.61 -179.737 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 177.33 132.22 0.06 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 3.6 mm-40 -133.25 -96.24 0.3 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.476 -0.765 . . . . 0.0 110.259 -179.157 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.571 ' HG2' ' HA ' ' A' ' 38' ' ' LYS . 1.3 mm-40 -62.39 108.94 1.21 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.054 -1.029 . . . . 0.0 110.781 -179.411 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.86 -70.34 0.87 Allowed Glycine 0 N--CA 1.497 2.747 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 178.838 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 35' ' ' ALA . 35.9 Cg_endo -80.17 -69.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 122.375 2.05 . . . . 0.0 110.48 178.749 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 34' ' ' PRO . . . 165.47 77.56 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.764 -0.585 . . . . 0.0 109.77 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.67 -51.45 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.912 -1.117 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.413 ' HE2' ' HB3' ' A' ' 37' ' ' MET . 13.0 ptp -79.43 63.03 3.93 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.954 -1.091 . . . . 0.0 109.217 179.667 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.571 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 5.2 mtpm? -69.08 91.54 0.5 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.46 0.647 . . . . 0.0 111.256 -178.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.428 ' OD1' ' HA ' ' A' ' 56' ' ' ASN . 1.1 t-20 -157.28 170.41 22.53 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.016 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.467 ' HA ' ' HG3' ' A' ' 31' ' ' GLU . 64.7 m-85 -146.1 91.59 2.09 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.761 -1.212 . . . . 0.0 112.012 -179.535 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.637 HG12 ' HG2' ' A' ' 54' ' ' GLU . 64.7 mt -83.46 105.04 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.079 -1.013 . . . . 0.0 109.683 178.832 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.8 m -93.35 126.65 38.58 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.871 -1.143 . . . . 0.0 109.111 179.328 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -109.17 139.29 44.28 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.081 -1.012 . . . . 0.0 110.933 -179.279 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.483 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . 44.0 t -126.45 127.09 44.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.387 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.677 HG23 ' HB2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -106.11 128.59 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.039 -1.038 . . . . 0.0 110.143 -179.879 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.509 HG11 ' HB3' ' A' ' 22' ' ' MET . 25.2 t -125.61 109.26 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.156 -0.965 . . . . 0.0 109.59 -179.764 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.51 -86.84 0.52 Allowed Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.768 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.3 m -140.17 15.6 2.43 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.354 -1.086 . . . . 0.0 110.593 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.2 mt -133.07 141.17 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.992 -1.068 . . . . 0.0 109.496 179.739 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.586 ' HB ' HG12 ' A' ' 45' ' ' ILE . 1.7 p -115.35 159.05 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.983 -1.073 . . . . 0.0 109.898 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.592 ' OG1' ' HG2' ' A' ' 69' ' ' MET . 54.6 p -133.7 101.79 5.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.607 -0.683 . . . . 0.0 109.606 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 3.4 mp0 -76.62 142.43 40.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.217 -0.927 . . . . 0.0 110.151 -179.821 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.28 93.06 0.4 Allowed Glycine 0 N--CA 1.498 2.832 0 N-CA-C 108.601 -1.8 . . . . 0.0 108.601 179.313 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.637 ' HG2' HG12 ' A' ' 41' ' ' ILE . 4.5 mt-10 -70.26 69.29 0.36 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.84 -0.8 . . . . 0.0 111.126 -178.621 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.569 ' HA3' ' N ' ' A' ' 61' ' ' SER . . . -83.07 150.05 27.16 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 178.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.428 ' HA ' ' OD1' ' A' ' 39' ' ' ASN . 5.1 p-10 -73.14 -26.05 61.06 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.007 -1.29 . . . . 0.0 111.569 -179.422 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.44 -88.97 0.15 Allowed Glycine 0 N--CA 1.504 3.189 0 O-C-N 120.535 -1.353 . . . . 0.0 110.476 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -61.79 -66.02 0.6 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.35 -1.088 . . . . 0.0 108.812 179.698 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -82.7 148.2 28.03 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.529 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.546 ' O ' ' HB3' ' A' ' 61' ' ' SER . 1.6 t 62.53 -178.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.989 -1.069 . . . . 0.0 108.894 -179.27 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.569 ' N ' ' HA3' ' A' ' 55' ' ' GLY . 17.1 t 72.14 114.27 0.06 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.957 -1.09 . . . . 0.0 110.59 179.446 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 61' ' ' SER . 2.5 ttmt 77.18 -59.72 0.47 Allowed 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.026 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.56 ' HG2' ' OG ' ' A' ' 8' ' ' SER . 0.2 OUTLIER -64.48 -56.9 11.13 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 176.966 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.537 ' HG2' HG13 ' A' ' 60' ' ' VAL . 1.8 tpt180 -61.33 -34.63 75.57 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.263 0.554 . . . . 0.0 109.734 178.109 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.04 73.72 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.768 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.79 85.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.556 -0.715 . . . . 0.0 109.184 178.511 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -51.49 -56.53 12.86 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.536 -0.728 . . . . 0.0 109.235 179.103 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.42 -37.66 70.5 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.145 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.592 ' HG2' ' OG1' ' A' ' 51' ' ' THR . 0.4 OUTLIER -66.7 -46.25 76.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.318 -0.864 . . . . 0.0 110.17 179.557 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 45.2 mt -69.33 -48.29 61.88 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.888 -1.133 . . . . 0.0 110.889 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.11 -36.17 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.079 -1.013 . . . . 0.0 110.628 -179.376 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.408 ' OE2' ' NZ ' ' A' ' 75' ' ' LYS . 44.1 mm-40 -86.82 -47.27 9.21 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.004 -1.06 . . . . 0.0 110.009 179.48 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -59.49 -20.84 58.34 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.797 -1.189 . . . . 0.0 110.412 179.798 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -98.29 7.71 45.84 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.066 -1.021 . . . . 0.0 108.99 178.537 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.408 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -116.5 -27.62 6.69 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.489 -0.757 . . . . 0.0 109.599 179.719 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.734 -179.79 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . 0.673 " H1'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C3'-C2'-C1' 104.214 3.015 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.895 " O2'" " H5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.576 3.376 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.895 " H5'" " O2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.907 0 O4'-C1'-N19 111.259 3.059 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.505 " O4'" " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.143 0 C5'-C4'-C3' 111.019 -2.987 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.179 0 C5'-C4'-C3' 111.303 -2.798 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . 0.497 " H2'" ' C6 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.019 0 C5'-C4'-C3' 111.124 -2.917 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.497 ' C6 ' " H2'" ' B' ' 6' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.047 0 C5'-C4'-C3' 111.287 -2.809 . 0.282 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.436 ' C6 ' " H2'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.06 0 C5'-C4'-C3' 111.25 -2.833 . 0.483 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.036 0 C5'-C4'-C3' 111.386 -2.743 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.42 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.992 0 O4'-C1'-N19 111.082 2.882 . 0.218 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.453 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.156 0 C5'-C4'-C3' 111.186 -2.876 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.527 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.048 0 O4'-C1'-N19 111.084 2.884 . 0.262 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.102 0 O4'-C1'-N19 110.998 2.798 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.46 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C5'-C4'-C3' 110.806 -3.129 . 0.374 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.62 HO2' ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C5'-C4'-C3' 111.264 -2.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.46 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.825 0 C5'-C4'-C3' 111.038 -2.975 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.837 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.07 0 C5'-C4'-C3' 111.045 -2.97 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.837 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.187 0 C5'-C4'-C3' 111.056 -2.962 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.526 " H2'" ' N3 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.02 0 C5'-C4'-C3' 111.073 -2.951 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.992 0 C5'-C4'-C3' 111.278 -2.814 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . 0.456 " H2'" ' C6 ' ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.925 0 C5'-C4'-C3' 111.266 -2.823 . 0.197 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.477 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.097 0 C5'-C4'-C3' 111.203 -2.865 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.123 0 O4'-C1'-N19 111.005 2.805 . 0.306 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . 0.441 " H2'" ' C6 ' ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.01 0 C5'-C4'-C3' 111.284 -2.811 . 0.133 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.441 ' C6 ' " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.121 0 O4'-C1'-N19 111.129 2.929 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.104 0 C5'-C4'-C3' 111.053 -2.964 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.028 0 C5'-C4'-C3' 111.329 -2.781 . 0.144 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.516 " H2'" " O4'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.902 0 C5'-C4'-C3' 111.134 -2.91 . 0.266 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.516 " O4'" " H2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.997 0 C5'-C4'-C3' 111.053 -2.965 . 0.015 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.505 ' O2 ' " H2'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.055 0 C5'-C4'-C3' 111.008 -2.995 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.7 55.36 2.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.131 -0.981 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' OE2' ' N ' ' A' ' 1' ' ' MET . 3.9 mp0 -74.8 73.46 2.08 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.961 -1.087 . . . . 0.0 109.714 -179.618 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.35 -70.93 0.22 Allowed Glycine 0 N--CA 1.5 2.941 0 O-C-N 120.87 -1.144 . . . . 0.0 110.913 -179.506 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -94.78 157.35 15.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.058 -1.26 . . . . 0.0 110.677 -178.879 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 9.1 mtmt -77.27 76.07 3.82 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.347 -0.846 . . . . 0.0 110.312 -179.749 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 25.9 mtmt 74.98 -78.6 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.436 -0.79 . . . . 0.0 110.025 179.764 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.476 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 60.5 p 176.98 143.72 0.25 Allowed Pre-proline 0 N--CA 1.506 2.329 0 O-C-N 120.846 -1.159 . . . . 0.0 110.381 179.662 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.487 ' HG2' ' HB3' ' A' ' 66' ' ' ALA . 34.2 Cg_endo -72.98 64.25 4.1 Favored 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 122.423 2.082 . . . . 0.0 110.962 179.458 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.552 HD11 ' HD3' ' A' ' 62' ' ' LYS . 26.5 mm -105.8 -63.9 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.431 -0.793 . . . . 0.0 109.405 179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -50.64 -44.89 57.56 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.105 -0.997 . . . . 0.0 109.096 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.69 -38.01 77.3 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.332 -0.855 . . . . 0.0 109.717 178.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 16' ' ' ILE . 3.6 t -63.28 -44.42 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.749 -1.219 . . . . 0.0 107.786 178.088 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -62.27 -42.49 99.39 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.694 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HG3' HO2' ' B' ' 15' ' ' ' U' . 0.3 OUTLIER -57.47 -59.85 4.54 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.128 0.49 . . . . 0.0 110.924 179.068 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.454 HD11 HG21 ' A' ' 16' ' ' ILE . 10.6 tt -53.76 -36.22 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.254 -0.903 . . . . 0.0 110.232 -179.34 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.6 ' CA ' ' HA ' ' A' ' 22' ' ' MET . . . -63.23 -57.62 14.69 Favored Glycine 0 N--CA 1.485 1.901 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.015 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 18' ' ' ILE . 3.4 mp -73.71 56.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-O 122.383 1.087 . . . . 0.0 108.845 178.836 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -157.12 -50.68 0.07 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.042 -1.036 . . . . 0.0 109.168 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -112.15 -45.56 3.28 Favored 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.82 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' C ' ' CG ' ' A' ' 22' ' ' MET . 24.5 m120 -147.3 -90.5 0.09 Allowed 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.151 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.6 ' HA ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -176.6 -76.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 0.0 108.906 178.837 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.614 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 12.9 p 41.29 81.79 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 CA-C-O 121.566 0.698 . . . . 0.0 111.315 179.484 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' PHE . 21.7 t -74.6 -20.2 16.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.992 -1.068 . . . . 0.0 108.362 178.365 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.661 ' CD2' ' HG2' ' A' ' 69' ' ' MET . 38.5 m80 64.45 -73.34 0.05 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.386 -0.822 . . . . 0.0 111.426 178.116 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' CZ ' HD12 ' A' ' 10' ' ' ILE . 5.4 m-85 -34.91 105.49 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 CA-C-O 121.913 0.863 . . . . 0.0 112.199 -178.816 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.7 tttm -144.63 99.28 3.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.46 -0.775 . . . . 0.0 109.228 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.69 95.23 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.778 -1.201 . . . . 0.0 109.92 -179.74 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -69.53 -32.97 72.12 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.209 -0.932 . . . . 0.0 109.886 179.622 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -169.83 135.63 1.46 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.832 . . . . 0.0 108.818 179.849 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.95 156.48 19.66 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.402 -0.811 . . . . 0.0 109.804 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 2.0 mp0 -90.63 145.6 24.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.424 -0.798 . . . . 0.0 109.937 -179.195 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.58 135.79 33.53 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 120.943 -1.098 . . . . 0.0 111.327 -178.849 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.34 109.58 2.69 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 122.781 2.32 . . . . 0.0 110.389 179.056 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -175.68 -56.35 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.288 -0.882 . . . . 0.0 109.87 -179.905 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -127.45 -60.52 1.18 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.179 -0.951 . . . . 0.0 110.149 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.67 -45.87 92.17 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.216 -0.927 . . . . 0.0 110.086 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.55 57.2 6.88 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.625 -0.672 . . . . 0.0 111.512 178.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.568 ' O ' ' HB2' ' A' ' 32' ' ' GLU . 9.4 m120 -126.38 165.94 18.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.28 -0.888 . . . . 0.0 108.862 178.775 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.607 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 3.9 m-85 -146.71 104.15 3.71 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.896 -1.128 . . . . 0.0 110.488 -179.807 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mm -77.68 86.09 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.321 -0.862 . . . . 0.0 108.838 179.242 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.9 m -87.59 105.17 17.15 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.676 -1.265 . . . . 0.0 108.912 179.896 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -71.58 153.71 41.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.528 -0.732 . . . . 0.0 109.922 -179.716 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -136.12 109.64 7.97 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.109 -0.994 . . . . 0.0 109.34 179.482 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.509 ' O ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -89.61 126.59 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 120.967 -1.083 . . . . 0.0 111.456 -179.02 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.52 ' CG1' ' HB ' ' A' ' 49' ' ' ILE . 14.5 p -117.06 79.64 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-O 121.978 0.894 . . . . 0.0 109.905 179.306 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.04 -109.82 3.0 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 120.793 -1.192 . . . . 0.0 110.327 179.478 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -97.78 4.65 49.79 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.413 -1.051 . . . . 0.0 110.653 -179.77 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.52 ' HB ' ' CG1' ' A' ' 46' ' ' VAL . 42.1 mm -119.62 153.55 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.968 -1.082 . . . . 0.0 109.24 179.869 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.429 HG11 ' HA ' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -135.99 143.86 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.97 -1.081 . . . . 0.0 109.675 179.961 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.639 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 34.1 m -146.17 132.91 19.98 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.413 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.6 mp0 -80.35 153.67 28.23 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.199 -0.938 . . . . 0.0 111.569 -178.477 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.72 107.84 2.31 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.31 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' CD ' ' HZ1' ' A' ' 68' ' ' LYS . 6.4 mp0 -83.05 76.74 9.82 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.263 -1.139 . . . . 0.0 110.65 -178.895 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.763 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -108.35 151.66 17.02 Favored Glycine 0 N--CA 1.497 2.755 0 C-N-CA 119.838 -1.172 . . . . 0.0 110.222 179.448 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -57.91 -25.87 61.43 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.344 -1.092 . . . . 0.0 111.341 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.607 ' HA2' ' HB2' ' A' ' 40' ' ' PHE . . . 150.19 -138.29 6.64 Favored Glycine 0 N--CA 1.503 3.101 0 O-C-N 120.747 -1.221 . . . . 0.0 111.021 179.711 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 11.0 tttp -65.72 68.05 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 O-C-N 122.039 -0.683 . . . . 0.0 110.495 -179.254 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 11.7 tttt 178.81 -61.33 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 179.766 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.1 t -101.83 -24.24 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.256 -0.903 . . . . 0.0 111.154 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.763 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 4.9 t -58.12 -71.38 0.11 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.969 -1.082 . . . . 0.0 111.298 -178.932 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.552 ' HD3' HD11 ' A' ' 10' ' ' ILE . 5.6 ptpt -57.26 -29.48 63.87 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.872 -1.142 . . . . 0.0 110.911 -179.544 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' A' ' 7' ' ' LYS . 13.5 mtpp -73.95 -59.38 2.75 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.771 -1.206 . . . . 0.0 109.423 179.339 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -59.79 -40.72 89.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.524 -0.735 . . . . 0.0 109.665 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.43 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . . . -58.84 -45.0 91.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.307 -0.871 . . . . 0.0 109.166 179.153 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.487 ' HB3' ' HG2' ' A' ' 9' ' ' PRO . . . -66.87 -52.54 42.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.377 -0.827 . . . . 0.0 109.815 179.656 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.43 -48.18 65.92 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.471 -0.768 . . . . 0.0 109.435 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 8.7 mtpt -51.44 -51.52 54.16 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.291 -0.881 . . . . 0.0 110.288 179.368 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.661 ' HG2' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -72.96 -56.5 5.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.28 -0.888 . . . . 0.0 110.372 -179.464 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.5 mt -50.92 -46.79 60.9 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.297 -0.877 . . . . 0.0 110.369 -179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.3 t -60.68 -45.68 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.084 -1.01 . . . . 0.0 109.328 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.19 -54.73 29.09 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.415 -0.803 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pp -73.14 -2.26 20.8 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.991 -1.068 . . . . 0.0 112.052 -179.249 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -12.8 61.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.294 -1.504 . . . . 0.0 110.296 179.499 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -127.97 0.49 5.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.032 -1.042 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 N--CA 1.486 1.351 0 O-C-N 121.253 -0.904 . . . . 0.0 109.938 -179.411 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.436 1.807 0 O4'-C1'-N19 111.435 3.235 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.03 0 C5'-C4'-C3' 110.87 -3.087 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.517 ' H8 ' " O5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.152 0 C5'-C4'-C3' 111.28 -2.813 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.099 0 C5'-C4'-C3' 110.914 -3.057 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . 0.449 ' N3 ' " H2'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 1.983 0 C5'-C4'-C3' 111.103 -2.932 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.885 0 C5'-C4'-C3' 111.229 -2.848 . 0.059 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.971 0 C5'-C4'-C3' 111.091 -2.939 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.41 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.883 0 C5'-C4'-C3' 111.164 -2.891 . 0.216 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.075 0 O4'-C1'-N19 110.948 2.748 . 0.038 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.182 0 C5'-C4'-C3' 111.288 -2.808 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.971 0 O4'-C1'-N19 111.05 2.85 . 0.189 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . 0.541 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.997 0 C5'-C4'-C3' 111.296 -2.803 . 0.263 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.674 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.181 0 C5'-C4'-C3' 111.268 -2.821 . 0.026 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.485 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C3'-C2'-C1' 104.495 3.327 . 0.215 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.605 " O5'" ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.204 0 C5'-C4'-C3' 111.495 -2.67 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.605 ' H5 ' " O5'" ' B' ' 15' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.089 0 C5'-C4'-C3' 111.17 -2.887 . 0.192 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.538 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.952 0 O4'-C1'-N19 111.114 2.914 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.436 " C4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.139 0 O4'-C1'-N19 111.048 2.848 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.059 0 C5'-C4'-C3' 110.848 -3.101 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.023 0 C5'-C4'-C3' 111.189 -2.874 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.894 0 C5'-C4'-C3' 111.298 -2.801 . 0.016 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.832 0 C5'-C4'-C3' 111.27 -2.82 . 0.034 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.928 0 O4'-C1'-N19 111.073 2.873 . 0.058 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.1 0 O4'-C1'-N19 110.971 2.771 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.437 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C5'-C4'-C3' 111.352 -2.765 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.437 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.076 0 C5'-C4'-C3' 111.168 -2.888 . 0.115 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.417 " C4'" HO2' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.056 0 O4'-C1'-N19 110.896 2.696 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.54 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.947 0 C5'-C4'-C3' 111.105 -2.93 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.54 " H5'" " O2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.148 0 C5'-C4'-C3' 110.98 -3.013 . 0.311 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.444 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.229 0 C5'-C4'-C3' 111.472 -2.686 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.37 -53.04 4.24 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.686 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.18 121.25 7.77 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.565 -0.71 . . . . 0.0 110.283 179.836 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.18 -136.7 12.49 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -167.41 -164.12 0.57 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.696 -0.885 . . . . 0.0 109.006 179.794 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -178.42 -39.3 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.21 -0.931 . . . . 0.0 109.681 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 53.4 mttt -89.3 -30.51 18.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.267 -0.896 . . . . 0.0 110.71 -179.696 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 17.0 m 74.75 68.31 0.25 Allowed Pre-proline 0 N--CA 1.511 2.598 0 O-C-N 121.582 -0.699 . . . . 0.0 110.001 -179.111 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.481 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 36.6 Cg_endo -78.8 122.33 5.38 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.099 1.866 . . . . 0.0 110.857 179.732 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.7 mt -53.34 -38.13 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.33 -0.856 . . . . 0.0 110.013 179.715 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -62.95 1.31 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.209 -0.932 . . . . 0.0 109.659 179.376 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.481 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -48.57 -42.58 34.1 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.578 -0.701 . . . . 0.0 110.548 179.909 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.436 HG12 HG13 ' A' ' 24' ' ' VAL . 35.4 t -58.6 -50.04 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.047 -1.033 . . . . 0.0 109.367 179.719 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -67.5 -37.14 82.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.819 . . . . 0.0 109.273 179.073 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.573 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 43.3 mt-10 -64.74 -37.86 89.03 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.481 -0.762 . . . . 0.0 110.532 -179.849 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.3 mt -78.69 -42.03 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.871 -1.143 . . . . 0.0 108.845 179.787 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.02 -56.46 14.2 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 178.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.7 mt -80.99 76.62 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.399 -1.059 . . . . 0.0 108.89 178.873 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -169.59 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.867 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -104.76 -57.5 2.02 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.197 -0.939 . . . . 0.0 109.498 178.849 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 9.6 t30 177.42 56.12 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.694 -0.629 . . . . 0.0 109.955 179.487 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 14.4 mtt -152.06 115.54 4.79 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.84 -1.163 . . . . 0.0 110.807 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.79 103.66 11.63 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.05 -1.031 . . . . 0.0 109.284 179.354 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.442 HG11 HG22 ' A' ' 46' ' ' VAL . 59.0 t -86.4 120.04 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.269 -0.894 . . . . 0.0 110.093 -179.532 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.485 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 94.9 m-70 -142.02 113.15 7.53 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.334 -0.854 . . . . 0.0 109.491 179.505 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -79.7 149.69 31.11 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.413 -0.805 . . . . 0.0 110.313 -179.403 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.7 97.25 2.59 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.846 -1.159 . . . . 0.0 110.563 -179.736 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 13.3 p -72.29 127.89 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.037 -1.039 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 6.4 mt -79.87 -38.62 32.33 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.133 -0.979 . . . . 0.0 108.993 179.213 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.523 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER 74.76 167.89 0.29 Allowed 'General case' 0 N--CA 1.507 2.406 0 CA-C-O 121.759 0.79 . . . . 0.0 111.381 179.056 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.58 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . 2.0 mt-10 -144.97 -61.13 0.36 Allowed 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.809 0.814 . . . . 0.0 109.325 -179.335 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.7 tt0 -82.0 120.22 24.98 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.486 -0.759 . . . . 0.0 110.347 -179.419 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.19 169.13 14.97 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -74.2 -49.67 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.102 1.868 . . . . 0.0 109.719 179.29 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.96 49.11 1.13 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.084 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -81.39 -103.04 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.146 -0.971 . . . . 0.0 110.603 -179.045 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.6 ttm -58.78 -20.17 47.4 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.679 -1.263 . . . . 0.0 111.425 -178.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.697 ' NZ ' " O2'" ' B' ' 3' ' ' ' A' . 2.5 tttt 59.47 45.32 13.73 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.939 -1.101 . . . . 0.0 110.927 178.3 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.496 ' OD1' ' NZ ' ' A' ' 62' ' ' LYS . 77.8 m-20 -135.25 -132.54 0.16 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.248 -0.908 . . . . 0.0 109.069 179.868 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 31' ' ' GLU . 25.8 m-85 69.07 -158.32 0.18 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.064 -1.023 . . . . 0.0 110.766 178.817 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -57.04 128.48 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.964 -1.085 . . . . 0.0 109.566 -179.468 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.674 ' C ' ' HB2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -114.97 159.13 21.11 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.249 -0.907 . . . . 0.0 108.814 -179.833 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.54 ' N ' ' HB2' ' A' ' 52' ' ' GLU . . . -143.87 102.03 3.84 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.863 -1.148 . . . . 0.0 110.437 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.66 ' CB ' ' HG3' ' A' ' 52' ' ' GLU . 41.9 t -104.89 151.87 23.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.033 -1.042 . . . . 0.0 109.625 179.749 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.485 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 16.1 tt -114.66 132.2 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.465 -0.772 . . . . 0.0 108.929 178.865 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.442 HG22 HG11 ' A' ' 24' ' ' VAL . 85.0 t -142.27 88.86 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.409 -0.807 . . . . 0.0 109.437 -179.842 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.05 -100.56 0.65 Allowed Glycine 0 N--CA 1.5 2.907 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 p -104.19 -21.81 13.49 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.35 -1.088 . . . . 0.0 110.789 -179.534 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 91.8 mt -93.22 132.45 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.912 -1.118 . . . . 0.0 109.392 -179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 44' ' ' CYS . 2.0 t -130.86 -172.26 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.284 -0.885 . . . . 0.0 109.153 179.438 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 50' ' ' VAL . 23.7 m 78.29 159.37 0.19 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -178.136 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.674 ' HB2' ' C ' ' A' ' 42' ' ' THR . 1.9 mt-10 -124.59 -57.24 1.56 Allowed 'General case' 0 C--N 1.294 -1.817 0 O-C-N 120.257 -1.527 . . . . 0.0 109.442 -179.046 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.75 -172.97 29.62 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -104.04 84.09 2.19 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.265 -1.138 . . . . 0.0 109.051 179.725 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.592 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -93.23 81.71 1.06 Allowed Glycine 0 N--CA 1.494 2.564 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.212 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.57 85.19 7.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.201 -1.176 . . . . 0.0 110.451 -179.858 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.47 ' HA3' HG23 ' A' ' 60' ' ' VAL . . . 162.32 154.98 7.79 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 179.793 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -47.71 -38.41 15.18 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.672 -0.899 . . . . 0.0 111.777 -179.32 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 19.3 mttm -119.74 25.17 10.16 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.939 -1.101 . . . . 0.0 111.141 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.525 HG13 ' HA2' ' A' ' 55' ' ' GLY . 3.1 t -93.78 -50.31 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.366 -1.459 . . . . 0.0 110.061 179.683 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.592 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 70.0 p -58.24 -81.11 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.169 -0.957 . . . . 0.0 110.808 -178.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.526 ' HE3' ' OG ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -42.78 -29.67 0.33 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.691 -0.631 . . . . 0.0 112.223 -179.078 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -92.28 -59.0 2.2 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.481 -1.387 . . . . 0.0 111.054 -179.495 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 4.3 mmt180 -59.76 -39.69 85.65 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.122 -0.986 . . . . 0.0 109.85 -179.763 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 52' ' ' GLU . . . -63.83 -54.31 36.98 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.19 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.47 71.93 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.32 -0.863 . . . . 0.0 109.22 178.649 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 71' ' ' VAL . 14.7 mt-10 -53.71 -42.76 68.39 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.31 0.576 . . . . 0.0 109.804 179.507 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' O ' HG23 ' A' ' 71' ' ' VAL . 16.2 mmtm -73.75 -53.93 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.624 -0.673 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.0 mmt -47.82 -45.96 30.36 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 0.0 110.821 179.811 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.1 -56.52 6.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.864 -1.147 . . . . 0.0 111.124 -179.12 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 67' ' ' GLU . 26.8 m -56.57 -42.43 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.851 -1.156 . . . . 0.0 110.436 -179.431 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -55.83 14.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.002 -1.061 . . . . 0.0 109.707 179.687 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 73' ' ' LEU . 1.6 mm? -58.04 -30.57 66.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.076 -1.015 . . . . 0.0 110.154 179.836 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -52.06 -35.59 47.84 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.167 -0.958 . . . . 0.0 108.697 178.78 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -161.86 79.29 0.55 Allowed 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.636 0.731 . . . . 0.0 109.762 178.32 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 73' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.285 -2.219 0 CA-C-O 117.779 -1.105 . . . . 0.0 110.544 179.715 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.825 0 O4'-C1'-N19 111.16 2.96 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.129 0 C5'-C4'-C3' 111.083 -2.945 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.697 " O2'" ' NZ ' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.614 2.09 0 O4'-C1'-N19 111.493 3.293 . 0.121 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.455 ' H6 ' " O5'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.119 0 C5'-C4'-C3' 111.25 -2.833 . 0.255 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 C5'-C4'-C3' 111.238 -2.842 . 0.286 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.034 0 O4'-C1'-N19 111.189 2.989 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . 0.427 ' H6 ' " O5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.997 0 C5'-C4'-C3' 111.182 -2.879 . 0.329 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.93 0 C5'-C4'-C3' 111.02 -2.986 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.903 0 C5'-C4'-C3' 111.375 -2.75 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.884 0 O4'-C1'-N19 110.983 2.783 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.457 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.955 0 C5'-C4'-C3' 111.184 -2.878 . 0.087 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.187 0 C5'-C4'-C3' 110.937 -3.042 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.736 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.814 0 O4'-C1'-N19 111.025 2.825 . 0.081 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.608 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 O4'-C1'-N19 111.19 2.99 . 0.251 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.466 " O2'" ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.617 2.382 0 O4'-C1'-N19 112.048 3.848 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.608 ' N3 ' ' C2 ' ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.755 0 C5'-C4'-C3' 111.174 -2.884 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.556 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.351 0 O4'-C1'-N19 111.097 2.897 . 0.399 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.606 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.099 0 C5'-C4'-C3' 110.839 -3.107 . 0.022 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.693 " H2'" " O4'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.193 0 O4'-C1'-N19 111.034 2.834 . 0.115 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . 0.693 " O4'" " H2'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.151 0 C5'-C4'-C3' 111.332 -2.779 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 0 C5'-C4'-C3' 111.169 -2.887 . 0.069 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.925 0 C5'-C4'-C3' 111.214 -2.858 . 0.211 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.997 0 O4'-C1'-N19 110.958 2.758 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.148 0 C5'-C4'-C3' 111.492 -2.672 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.433 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.073 0 O4'-C1'-N19 111.147 2.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.433 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.191 0 O4'-C1'-N19 111.016 2.816 . 0.186 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.944 0 O4'-C1'-N19 111.019 2.819 . 0.427 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C5'-C4'-C3' 111.184 -2.878 . 0.016 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.065 0 O4'-C1'-N19 111.123 2.923 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.246 0 O4'-C1'-N19 111.098 2.898 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtm . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.99 166.48 22.78 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.508 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 63.4 111.62 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 121.895 0.855 . . . . 0.0 109.927 -178.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.82 63.76 0.56 Allowed Glycine 0 N--CA 1.5 2.915 0 O-C-N 120.646 -1.284 . . . . 0.0 111.038 -179.136 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -78.85 162.56 25.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.291 -1.123 . . . . 0.0 109.46 178.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -147.59 39.5 0.97 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.192 -0.943 . . . . 0.0 109.275 179.424 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.547 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.54 90.47 3.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.879 . . . . 0.0 110.465 -179.301 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -101.11 132.32 22.11 Favored Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.064 -1.023 . . . . 0.0 108.74 178.866 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -69.0 -51.59 0.44 Allowed 'Trans proline' 0 C--N 1.316 -1.167 0 C-N-CA 122.201 1.934 . . . . 0.0 110.387 -179.676 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 mt -54.41 -51.22 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.129 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.591 ' HB3' ' C2 ' ' B' ' 15' ' ' ' U' . 0.2 OUTLIER -57.2 -46.91 82.46 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.359 -0.838 . . . . 0.0 109.613 178.878 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.67 -44.51 96.37 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.091 -1.006 . . . . 0.0 108.744 179.021 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 92.3 t -57.82 -42.19 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 177.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -61.99 -49.18 77.1 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.406 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.601 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 2.4 mm-40 -51.78 -38.55 56.0 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.623 -0.673 . . . . 0.0 110.565 179.582 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.2 mt -86.52 -57.78 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.011 -1.055 . . . . 0.0 110.214 -179.313 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.46 -49.23 65.61 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.805 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.0 mt -81.53 56.99 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.248 -1.149 . . . . 0.0 109.273 179.283 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.601 ' NZ ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -155.92 -67.71 0.11 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.844 -1.16 . . . . 0.0 108.996 179.919 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.88 45.31 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.58 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -121.43 -78.42 0.6 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.0 110.082 -179.274 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.494 ' HE2' ' O ' ' A' ' 23' ' ' THR . 3.3 tpt -157.22 155.9 31.63 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.032 -1.042 . . . . 0.0 110.131 -178.299 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.494 ' O ' ' HE2' ' A' ' 22' ' ' MET . 0.2 OUTLIER -62.01 123.61 18.57 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.136 -0.978 . . . . 0.0 110.093 179.514 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -89.08 76.43 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.726 -1.234 . . . . 0.0 111.22 -179.697 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.714 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 88.8 m-70 -81.99 95.72 7.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 109.108 178.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.546 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 16.6 m-85 -97.87 120.71 38.75 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.168 -0.957 . . . . 0.0 109.722 -179.852 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -165.54 138.64 4.39 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.974 -1.079 . . . . 0.0 111.049 -179.917 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.607 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 97.7 t -82.14 152.87 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.091 -1.006 . . . . 0.0 108.62 178.623 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' HB2' HG21 ' A' ' 41' ' ' ILE . 9.6 mt -93.63 -57.58 2.53 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.892 -1.13 . . . . 0.0 109.406 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 177.71 172.05 0.61 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.764 -0.585 . . . . 0.0 110.175 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.499 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 1.8 pm0 -86.4 144.12 27.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.442 -0.786 . . . . 0.0 110.007 179.857 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.633 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 6.4 mt-10 -98.56 88.96 4.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.323 -0.861 . . . . 0.0 110.684 -179.306 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.44 ' HA3' ' HG3' ' A' ' 38' ' ' LYS . . . 138.48 174.17 13.31 Favored Glycine 0 N--CA 1.501 3.024 0 O-C-N 120.862 -1.149 . . . . 0.0 111.276 179.141 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -82.18 147.13 14.48 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 C-N-CA 123.099 2.533 . . . . 0.0 111.055 179.919 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 63.14 -163.15 0.27 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.596 -0.69 . . . . 0.0 110.662 179.231 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.55 ' HB3' " O2'" ' B' ' 3' ' ' ' A' . 55.3 m-70 -97.1 -164.37 1.14 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.082 -1.011 . . . . 0.0 109.633 -179.706 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.22 31.16 19.52 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.82 -1.175 . . . . 0.0 109.456 -179.34 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.63 ' HA ' ' NZ ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -113.34 175.87 5.27 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.873 -1.142 . . . . 0.0 110.036 -179.646 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.633 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -69.8 139.38 53.19 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.269 -0.894 . . . . 0.0 108.922 -179.741 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 31' ' ' GLU . 20.5 m-85 -117.17 79.51 1.35 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.409 -0.807 . . . . 0.0 109.744 -179.356 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 29' ' ' LEU . 17.2 tt -52.35 117.88 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.348 -0.845 . . . . 0.0 109.529 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 22.5 m -117.03 129.11 55.8 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.08 -1.013 . . . . 0.0 109.88 -179.014 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.747 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . . . -105.08 153.77 21.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.128 -0.983 . . . . 0.0 111.059 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.821 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 57.8 m -142.73 162.54 35.19 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.06 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.817 ' HB ' ' HB ' ' A' ' 50' ' ' VAL . 9.1 mm 63.32 -76.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.023 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' SER . 5.1 t 54.34 -56.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.651 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 177.055 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 45' ' ' ILE . . . -43.45 85.54 0.01 OUTLIER Glycine 0 N--CA 1.514 3.867 0 O-C-N 121.13 -0.981 . . . . 0.0 112.233 -178.126 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.4 m 62.07 5.02 1.32 Allowed 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.415 -1.05 . . . . 0.0 111.33 179.854 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.55 ' C ' HG22 ' A' ' 45' ' ' ILE . 11.3 mt -149.75 160.44 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.975 -1.078 . . . . 0.0 110.226 -179.717 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.817 ' HB ' ' HB ' ' A' ' 45' ' ' ILE . 62.0 t 61.44 -114.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.343 -0.848 . . . . 0.0 111.597 179.788 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.63 ' HB ' ' O ' ' A' ' 50' ' ' VAL . 6.4 t 126.6 -154.72 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.239 0 CA-C-N 118.821 0.737 . . . . 0.0 109.269 -179.327 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.747 ' HA ' ' CB ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -74.32 174.72 8.45 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.246 1.022 . . . . 0.0 112.132 -179.357 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.76 136.38 6.17 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 108.27 -1.932 . . . . 0.0 108.27 179.203 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' CD ' HH21 ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.78 80.28 6.19 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.021 -1.282 . . . . 0.0 110.647 -178.87 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.649 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -89.95 159.03 27.51 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.5 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.492 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 23.8 t-20 -74.66 -68.73 0.51 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.041 -1.27 . . . . 0.0 110.652 -179.759 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.498 ' HA2' ' HB2' ' A' ' 40' ' ' PHE . . . -161.14 -144.33 3.95 Favored Glycine 0 N--CA 1.503 3.131 0 C-N-CA 119.781 -1.2 . . . . 0.0 111.357 -179.419 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 10.2 tttt -66.63 65.45 0.05 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.59 -0.947 . . . . 0.0 110.821 -179.235 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 170.47 -64.17 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.536 -0.727 . . . . 0.0 109.301 179.732 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.492 ' HB ' ' HB3' ' A' ' 56' ' ' ASN . 25.5 t -70.12 -46.38 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.46 -0.775 . . . . 0.0 110.384 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.649 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 52.1 m -59.12 -44.43 92.02 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.011 -1.056 . . . . 0.0 110.884 -179.105 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -15.4 62.27 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.389 -0.819 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HE2' ' CG ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -108.31 -56.59 2.23 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.034 -1.041 . . . . 0.0 110.395 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.465 HH21 ' CD ' ' A' ' 54' ' ' GLU . 9.9 ttt180 -53.93 -50.5 66.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.263 -0.898 . . . . 0.0 110.352 -179.496 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -62.67 -49.05 76.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.512 -0.742 . . . . 0.0 109.584 179.736 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' HA ' ' HG2' ' A' ' 69' ' ' MET . . . -58.53 -51.22 70.79 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.299 -0.876 . . . . 0.0 111.258 -179.477 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' CG ' ' HE2' ' A' ' 63' ' ' LYS . 5.2 mm-40 -51.77 -50.28 60.98 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.176 -0.952 . . . . 0.0 109.778 -179.833 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -53.44 -37.26 62.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.512 -0.743 . . . . 0.0 109.285 179.249 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.821 ' SD ' ' HB2' ' A' ' 44' ' ' CYS . 58.1 mmm -55.85 -50.14 71.41 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.313 -0.867 . . . . 0.0 108.988 178.505 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.8 mt -67.74 -44.7 76.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.499 -0.751 . . . . 0.0 109.316 179.285 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 98.1 t -56.05 -45.54 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.586 -0.696 . . . . 0.0 110.124 179.721 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -55.08 6.41 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.455 -0.778 . . . . 0.0 110.429 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.2 mt -58.71 -30.62 67.56 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.096 -1.003 . . . . 0.0 111.226 -179.214 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -77.88 -6.79 55.44 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.939 -1.101 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.572 ' O ' ' HE3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -118.39 -32.65 4.58 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.802 -1.186 . . . . 0.0 111.194 -179.76 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.52 ' O ' ' HE2' ' A' ' 75' ' ' LYS . 2.4 mt . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 117.28 -1.343 . . . . 0.0 112.628 179.57 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.639 0 O4'-C1'-N19 111.561 3.361 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 O4'-C1'-N19 110.964 2.764 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 3' ' ' ' A' . . . . . 0.55 " O2'" ' HB3' ' A' ' 36' ' ' HIS . . . . . . . . 0 P--O5' 1.616 2.284 0 O4'-C1'-N19 110.987 2.787 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 4' ' ' ' C' . . . . . 0.46 ' C6 ' " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.189 0 C5'-C4'-C3' 111.496 -2.669 . 0.098 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.014 0 C5'-C4'-C3' 111.089 -2.941 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.983 0 C5'-C4'-C3' 111.193 -2.871 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 0 O4'-C1'-N19 111.105 2.905 . 0.263 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 8' ' ' ' U' . . . . . 0.534 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.041 0 C5'-C4'-C3' 111.286 -2.809 . 0.391 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.846 0 C5'-C4'-C3' 111.29 -2.807 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 10' ' ' ' U' . . . . . 0.401 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.016 2.816 . 0.243 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 11' ' ' ' C' . . . . . 0.426 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.072 0 O4'-C1'-N19 111.075 2.875 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.233 0 O4'-C1'-N19 111.112 2.912 . 0.133 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 13' ' ' ' C' . . . . . 0.533 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.065 0 O4'-C1'-N19 111.209 3.009 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 14' ' ' ' U' . . . . . 0.554 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.265 0 C5'-C4'-C3' 110.841 -3.106 . 0.202 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 15' ' ' ' U' . . . . . 0.591 ' C2 ' ' HB3' ' A' ' 11' ' ' SER . . . . . . . . 0 P--O5' 1.61 1.71 0 C5'-C4'-C3' 111.092 -2.939 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 16' ' ' ' C' . . . . . 0.554 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.254 0 O4'-C1'-N19 111.279 3.079 . 0.114 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.578 ' N3 ' " H3'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 C5'-C4'-C3' 111.131 -2.913 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 18' ' ' ' G' . . . . . 0.4 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.967 0 C5'-C4'-C3' 110.924 -3.05 . 0.126 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 19' ' ' ' G' . . . . . 0.445 " H2'" ' N3 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.988 0 C5'-C4'-C3' 111.361 -2.759 . 0.105 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.979 0 C5'-C4'-C3' 110.992 -3.005 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.08 0 C5'-C4'-C3' 111.238 -2.841 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 22' ' ' ' C' . . . . . 0.626 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.856 0 C5'-C4'-C3' 111.15 -2.9 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.1 0 C5'-C4'-C3' 111.247 -2.835 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.061 0 O4'-C1'-N19 111.066 2.866 . 0.271 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.147 0 C5'-C4'-C3' 111.105 -2.93 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 26' ' ' ' U' . . . . . 0.53 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.961 0 O4'-C1'-N19 111.013 2.813 . 0.281 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.102 0 C5'-C4'-C3' 111.251 -2.833 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 28' ' ' ' U' . . . . . 0.456 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.016 0 O4'-C1'-N19 111.096 2.896 . 0.292 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.684 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.103 0 C5'-C4'-C3' 111.03 -2.98 . 0.392 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 30' ' ' ' C' . . . . . 0.474 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.506 0 O4'-C1'-N19 111.019 2.819 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.783 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.7 Cg_endo . . . . . 0 CA--C 1.539 0.765 0 N-CA-C 110.619 -0.57 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.671 HD11 ' HG2' ' A' ' 62' ' ' LYS . 22.0 mt -46.24 -49.95 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.479 -0.763 . . . . 0.0 110.064 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -56.04 -57.96 9.92 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.305 -0.872 . . . . 0.0 109.578 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -36.41 75.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.19 -0.944 . . . . 0.0 110.697 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 9' ' ' PRO . 25.1 t -60.97 -45.4 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 120.788 -1.195 . . . . 0.0 108.231 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.488 ' HA ' HG21 ' A' ' 24' ' ' VAL . 25.4 m-70 -66.98 -45.54 77.36 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 47.7 mt-10 -55.14 -50.71 68.59 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.623 -0.673 . . . . 0.0 109.485 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.6 mm -71.19 -40.07 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.009 -1.057 . . . . 0.0 109.474 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.62 -42.12 90.31 Favored Glycine 0 N--CA 1.497 2.753 0 N-CA-C 109.351 -1.499 . . . . 0.0 109.351 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.43 -48.86 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.629 -0.924 . . . . 0.0 109.418 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 5.5 tmtt? -56.26 -32.15 64.25 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.281 -0.887 . . . . 0.0 110.697 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -98.31 -78.02 0.5 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.178 -0.951 . . . . 0.0 109.627 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER 161.97 62.04 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.913 ' HB3' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -136.99 126.61 25.31 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.853 -1.154 . . . . 0.0 110.851 -177.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.443 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -74.3 101.83 4.16 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.34 -0.85 . . . . 0.0 108.744 178.645 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.488 HG21 ' HA ' ' A' ' 14' ' ' HIS . 53.3 t -80.85 106.16 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.251 -0.906 . . . . 0.0 110.111 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.794 ' HB2' HG22 ' A' ' 45' ' ' ILE . 7.5 m-70 -130.7 126.57 36.83 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.097 -1.002 . . . . 0.0 109.955 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CE2' HG12 ' A' ' 24' ' ' VAL . 73.1 m-85 -109.95 141.52 42.59 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.198 -0.939 . . . . 0.0 109.276 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -152.81 174.44 14.06 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.116 -0.99 . . . . 0.0 110.486 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.2 t -125.08 145.65 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.192 -0.943 . . . . 0.0 108.683 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.24 -24.63 14.78 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.144 -0.973 . . . . 0.0 110.8 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 . . . . . 0 N--CA 1.495 1.803 0 O-C-N 120.966 -1.083 . . . . 0.0 110.717 -179.351 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 120.612 0.244 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.402 HG23 HD12 ' A' ' 41' ' ' ILE . 9.5 mm -125.19 73.86 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.79 -1.194 . . . . 0.0 109.306 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -87.07 117.02 25.52 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.155 -0.966 . . . . 0.0 109.617 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.97 152.0 25.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.436 -0.79 . . . . 0.0 109.529 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.567 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 1.8 m -126.95 134.16 50.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.157 -0.964 . . . . 0.0 109.413 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.794 HG22 ' HB2' ' A' ' 25' ' ' HIS . 7.9 tt -114.08 142.8 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.087 -1.008 . . . . 0.0 109.113 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.913 HG22 ' HB3' ' A' ' 22' ' ' MET . 4.0 p -137.24 155.2 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -0.839 . . . . 0.0 109.234 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.68 63.86 0.04 OUTLIER Glycine 0 N--CA 1.507 3.37 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER 174.08 -39.24 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.626 -0.926 . . . . 0.0 109.714 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.22 -177.88 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.18 -0.95 . . . . 0.0 110.164 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.687 HG22 HG13 ' A' ' 45' ' ' ILE . 3.4 t -127.02 158.2 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.646 ' CG2' ' HG2' ' A' ' 68' ' ' LYS . 0.8 OUTLIER -140.63 111.54 7.03 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.878 -1.139 . . . . 0.0 111.006 -179.272 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 146.25 27.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.359 -0.838 . . . . 0.0 109.077 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.21 95.66 0.18 Allowed Glycine 0 N--CA 1.497 2.748 0 C-N-CA 119.653 -1.261 . . . . 0.0 110.549 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.92 63.06 0.63 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.548 -0.972 . . . . 0.0 110.078 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.678 0 N-CA-C 109.991 -1.243 . . . . 0.0 109.991 179.82 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.671 ' HG2' HD11 ' A' ' 10' ' ' ILE . 2.5 ttpt . . . . . 0 N--CA 1.498 1.973 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 34.3 tttp -72.58 -57.58 4.03 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -43.76 91.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.688 -0.632 . . . . 0.0 110.18 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.567 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -63.31 -56.5 15.93 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.556 -0.715 . . . . 0.0 109.864 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.31 91.42 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.315 -0.865 . . . . 0.0 109.899 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -55.98 -48.12 76.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.449 -0.782 . . . . 0.0 109.338 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.646 ' HG2' ' CG2' ' A' ' 51' ' ' THR . 9.8 tttt -58.76 -45.2 90.27 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.473 ' HE3' ' HB ' ' A' ' 46' ' ' VAL . 42.1 tpp -57.1 -38.53 73.53 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.619 ' CD2' HG22 ' A' ' 13' ' ' VAL . 14.1 mt -69.81 -56.89 5.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.327 -0.858 . . . . 0.0 110.064 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.576 HG12 ' HA ' ' A' ' 68' ' ' LYS . 8.9 p -56.9 -30.85 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.173 -0.954 . . . . 0.0 110.526 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.37 -50.17 8.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.766 -1.209 . . . . 0.0 108.987 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.651 HD11 HG21 ' A' ' 46' ' ' VAL . 14.2 mt -59.62 -29.14 67.8 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.198 -0.939 . . . . 0.0 110.068 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -9.94 54.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.839 -1.163 . . . . 0.0 109.535 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.1 -31.51 12.44 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.365 -0.835 . . . . 0.0 109.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 118.343 -0.836 . . . . 0.0 109.819 -179.308 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HB2' HD11 ' A' ' 70' ' ' LEU . 33.8 Cg_endo . . . . . 0 CA--C 1.544 1.017 0 CA-C-O 121.198 0.416 . . . . 0.0 112.177 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.581 ' O ' HG12 ' A' ' 13' ' ' VAL . 49.7 mm -69.8 -52.52 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.011 -1.055 . . . . 0.0 108.693 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -52.57 64.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.05 -1.031 . . . . 0.0 108.726 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -52.51 -43.63 65.21 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.628 -0.67 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.9 HG23 ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -63.25 -40.32 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.636 -1.29 . . . . 0.0 108.735 179.301 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.816 ' HA ' HG11 ' A' ' 24' ' ' VAL . 30.7 m80 -67.26 -36.31 81.34 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 33.2 mt-10 -66.29 -60.23 2.97 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.777 -0.577 . . . . 0.0 110.206 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -55.38 -33.34 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.146 -0.972 . . . . 0.0 110.977 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.415 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -69.14 -49.11 42.38 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.7 mp -77.94 -37.07 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.61 -0.935 . . . . 0.0 110.626 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -60.84 -19.47 59.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.896 -1.128 . . . . 0.0 110.957 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -117.69 -76.98 0.57 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.096 -1.002 . . . . 0.0 109.799 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 30.7 t-20 171.81 62.13 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.579 -0.7 . . . . 0.0 109.67 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.415 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -140.06 117.59 11.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.745 -1.222 . . . . 0.0 110.492 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -66.78 100.7 0.73 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.395 -0.816 . . . . 0.0 109.451 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.816 HG11 ' HA ' ' A' ' 14' ' ' HIS . 9.4 p -96.36 110.76 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.393 -0.817 . . . . 0.0 110.114 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.799 ' HB2' HG22 ' A' ' 45' ' ' ILE . 9.9 m-70 -132.21 124.82 29.74 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.729 -1.232 . . . . 0.0 109.912 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE2' HG22 ' A' ' 24' ' ' VAL . 91.1 m-85 -111.32 123.99 51.33 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.27 -0.894 . . . . 0.0 109.521 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 28' ' ' VAL . 6.8 tttp -146.69 132.3 18.81 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.87 -1.144 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.517 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 77.4 t -76.06 149.72 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.085 -1.01 . . . . 0.0 109.428 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.891 HD21 ' HB2' ' A' ' 43' ' ' ALA . 7.4 mt -98.5 -63.93 1.08 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.339 -0.851 . . . . 0.0 109.569 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.808 0 O-C-N 121.576 -0.702 . . . . 0.0 110.251 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 120.974 0.416 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.35 101.45 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.343 -0.848 . . . . 0.0 109.712 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.517 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 52.4 m -95.9 117.49 30.71 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.131 -0.981 . . . . 0.0 109.22 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.891 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -79.78 143.06 34.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.429 -0.794 . . . . 0.0 109.817 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 1.047 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 7.4 m -131.67 119.37 21.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.367 -0.833 . . . . 0.0 109.755 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.799 HG22 ' HB2' ' A' ' 25' ' ' HIS . 3.3 tt -110.15 133.95 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.984 -1.072 . . . . 0.0 110.159 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.824 HG11 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.36 -168.8 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.71 93.67 0.12 Allowed Glycine 0 N--CA 1.501 3.018 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m 69.24 27.22 5.21 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.627 -0.925 . . . . 0.0 110.353 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.1 mt -141.86 150.84 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.091 -1.006 . . . . 0.0 109.524 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.402 HG22 HG13 ' A' ' 45' ' ' ILE . 2.4 t -130.06 151.44 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.824 -1.173 . . . . 0.0 108.587 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.663 HG23 ' HE3' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -165.3 116.98 1.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.235 -0.916 . . . . 0.0 109.931 -179.328 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' HG3' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -85.3 160.85 19.74 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.094 -1.004 . . . . 0.0 110.129 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.53 108.31 0.74 Allowed Glycine 0 N--CA 1.499 2.841 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.67 78.83 3.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.629 -0.924 . . . . 0.0 109.927 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.868 0 O-C-N 120.638 -1.289 . . . . 0.0 111.283 -179.528 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.439 ' HE2' HG13 ' A' ' 10' ' ' ILE . 24.6 tttt . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 120.769 0.319 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -101.57 -68.18 0.83 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.165 -0.959 . . . . 0.0 109.053 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -44.92 -38.32 4.58 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.555 -0.715 . . . . 0.0 110.251 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 1.047 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -66.2 -45.3 81.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.115 -0.991 . . . . 0.0 109.024 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.92 75.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.359 -0.838 . . . . 0.0 109.37 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.63 -52.62 22.19 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.576 -0.703 . . . . 0.0 109.183 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.663 ' HE3' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -55.18 -53.84 50.94 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.707 -0.621 . . . . 0.0 109.721 179.139 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.75 ' SD ' HG23 ' A' ' 24' ' ' VAL . 3.2 ttm -58.0 -37.44 74.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.138 -0.976 . . . . 0.0 110.201 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.9 ' CD2' HG23 ' A' ' 13' ' ' VAL . 13.1 mt -67.1 -49.59 64.45 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.923 -1.111 . . . . 0.0 109.394 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 68' ' ' LYS . 9.8 p -65.17 -35.9 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.045 -1.035 . . . . 0.0 108.994 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.47 ' OE2' ' HD2' ' A' ' 68' ' ' LYS . 2.5 mt-10 -64.74 -47.23 79.01 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.824 HD21 HG11 ' A' ' 46' ' ' VAL . 95.0 mt -74.06 -27.22 60.81 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.244 -0.91 . . . . 0.0 111.206 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.35 -10.53 59.75 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.872 -1.142 . . . . 0.0 111.318 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.562 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -117.11 -13.65 10.55 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -0.992 . . . . 0.0 110.877 -179.647 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 73' ' ' LEU . 13.2 mt . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.38 -1.295 . . . . 0.0 110.685 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 36.8 Cg_endo . . . . . 0 N--CA 1.48 0.71 0 CA-C-O 121.537 0.557 . . . . 0.0 111.51 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.468 HG22 ' ND1' ' A' ' 14' ' ' HIS . 45.2 mm -78.51 -49.39 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.256 -0.903 . . . . 0.0 109.887 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -49.96 28.48 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.127 -0.983 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.582 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -58.67 -44.24 90.13 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.13 -0.982 . . . . 0.0 109.443 179.422 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.812 HG22 HD21 ' A' ' 70' ' ' LEU . 65.4 t -59.3 -44.16 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.468 ' ND1' HG22 ' A' ' 10' ' ' ILE . 37.4 m80 -61.67 -38.37 87.5 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.457 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -58.33 -61.74 2.36 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.816 -0.553 . . . . 0.0 109.729 178.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.2 pp -58.97 -36.89 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 120.794 -1.191 . . . . 0.0 110.192 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.69 -48.67 79.65 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.9 mm -73.73 -36.88 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.599 -0.942 . . . . 0.0 109.484 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 10.4 mmtp -61.57 -34.91 76.41 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.433 -0.792 . . . . 0.0 110.677 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.647 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -93.66 -72.86 0.59 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.228 -0.92 . . . . 0.0 109.298 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.647 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 37.0 t-20 164.69 64.93 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.17 141.19 46.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.856 -1.152 . . . . 0.0 110.413 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -41.59 97.53 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.677 -0.64 . . . . 0.0 110.439 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 t 64.82 72.86 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 CA-C-O 121.834 0.826 . . . . 0.0 109.433 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.566 ' HB2' HG22 ' A' ' 45' ' ' ILE . 5.0 m-70 -120.23 117.94 29.17 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.859 -1.151 . . . . 0.0 109.724 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 22.1 m-85 -92.49 149.04 21.62 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.388 -0.82 . . . . 0.0 109.704 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -158.61 118.94 3.25 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.945 -1.097 . . . . 0.0 110.537 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.656 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 78.4 t -76.62 130.73 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.138 -0.976 . . . . 0.0 109.014 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.584 HD21 ' CB ' ' A' ' 43' ' ' ALA . 7.3 mt -72.33 -48.37 42.58 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.349 -0.844 . . . . 0.0 108.885 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 2.1 ptm180 . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.216 0.531 . . . . 0.0 109.603 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.608 0.718 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.556 HG21 HD12 ' A' ' 29' ' ' LEU . 26.4 mm -89.59 101.8 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.537 -0.727 . . . . 0.0 109.567 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.656 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 78.7 m -110.49 117.25 33.06 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.342 -0.848 . . . . 0.0 109.35 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.584 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -99.71 169.1 9.49 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.127 -0.983 . . . . 0.0 110.586 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.1 t -151.63 150.4 30.24 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.454 -0.779 . . . . 0.0 109.635 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.611 HD13 ' N ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -127.44 139.46 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.132 -0.98 . . . . 0.0 109.761 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.611 ' N ' HD13 ' A' ' 45' ' ' ILE . 7.2 m -138.21 106.09 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.328 -0.857 . . . . 0.0 110.1 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.15 -98.62 0.91 Allowed Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.5 p -125.63 12.03 7.96 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.566 -0.961 . . . . 0.0 110.739 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.591 HG23 HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -122.83 138.95 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.691 -1.256 . . . . 0.0 109.699 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.06 151.61 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.506 -0.746 . . . . 0.0 109.347 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.462 ' OG1' ' HG2' ' A' ' 69' ' ' MET . 40.4 p -140.65 145.72 36.96 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.124 -0.985 . . . . 0.0 110.461 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -103.12 146.05 28.98 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.343 -0.848 . . . . 0.0 109.849 179.428 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -113.23 115.81 3.77 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.916 -1.273 . . . . 0.0 109.916 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -96.24 74.59 2.94 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 122.248 1.023 . . . . 0.0 110.416 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.77 0 O-C-N 120.37 -1.456 . . . . 0.0 110.366 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.0 mttt . . . . . 0 N--CA 1.499 2.021 0 CA-C-O 120.984 0.421 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.612 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -69.05 -66.68 0.55 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.055 -1.028 . . . . 0.0 109.018 178.835 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -49.49 -38.84 31.64 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.438 -0.789 . . . . 0.0 110.087 179.652 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -64.53 -49.67 70.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.453 -0.779 . . . . 0.0 109.571 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.48 81.1 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.216 -0.927 . . . . 0.0 110.724 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 2.9 mt-10 -52.15 -54.61 28.57 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.173 -0.955 . . . . 0.0 109.481 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -46.11 66.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.72 -0.613 . . . . 0.0 109.42 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.609 ' HE1' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -61.98 -54.82 36.31 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.407 -0.808 . . . . 0.0 109.418 179.39 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.812 HD21 HG22 ' A' ' 13' ' ' VAL . 51.4 mt -57.6 -47.08 83.11 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.045 -1.034 . . . . 0.0 110.717 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 67' ' ' GLU . 56.0 t -51.37 -42.24 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.344 -0.848 . . . . 0.0 110.455 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.466 ' OE2' ' NZ ' ' A' ' 75' ' ' LYS . 14.0 mm-40 -86.5 -49.63 7.44 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.023 -1.048 . . . . 0.0 109.708 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 69' ' ' MET . 9.6 mp -55.76 -29.14 59.11 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.21 -0.931 . . . . 0.0 110.793 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 14.7 mt-30 -86.72 -15.7 38.69 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.173 -0.955 . . . . 0.0 109.778 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.466 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 15.3 ttpt -98.09 -24.4 15.33 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.311 -0.868 . . . . 0.0 109.862 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.488 1.448 0 O-C-N 121.529 -0.732 . . . . 0.0 110.65 -179.128 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.673 ' HG3' ' HG3' ' A' ' 67' ' ' GLU . 34.4 Cg_endo . . . . . 0 CA--C 1.538 0.681 0 CA-C-O 121.663 0.61 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.638 HD11 ' O ' ' A' ' 62' ' ' LYS . 88.3 mt -124.0 -60.21 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.387 -0.821 . . . . 0.0 109.218 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.404 ' HB2' ' OE2' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -52.19 -67.2 0.27 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.545 -0.722 . . . . 0.0 109.947 179.623 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.96 -39.61 12.74 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.262 -0.899 . . . . 0.0 110.454 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.042 HG22 HD21 ' A' ' 70' ' ' LEU . 69.2 t -64.08 -46.3 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.048 -1.032 . . . . 0.0 108.717 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -64.1 -37.8 88.74 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 4.6 mt-10 -63.76 -55.49 22.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.705 -0.622 . . . . 0.0 109.613 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.1 pt -65.76 -33.18 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.858 -1.151 . . . . 0.0 109.437 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.53 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -64.84 -54.22 29.57 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 178.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.445 ' HA ' HD13 ' A' ' 18' ' ' ILE . 22.5 mm -62.32 -47.69 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.349 -1.089 . . . . 0.0 109.412 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.5 mmtp -58.66 -36.22 73.81 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.329 -0.857 . . . . 0.0 110.536 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -96.39 18.75 13.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.995 -1.066 . . . . 0.0 110.721 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 55.69 34.83 24.09 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.069 -1.019 . . . . 0.0 110.089 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.53 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 29.2 mtp -105.55 111.6 24.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 0.0 109.609 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -63.04 95.57 0.08 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.354 -0.841 . . . . 0.0 110.392 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.1 t -85.08 108.33 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.287 -0.883 . . . . 0.0 109.177 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.486 ' HB2' HG22 ' A' ' 45' ' ' ILE . 7.9 m-70 -130.06 124.71 33.49 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.999 -1.063 . . . . 0.0 110.33 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.477 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 39.4 m-85 -112.65 125.0 53.81 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.346 -0.846 . . . . 0.0 109.193 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.92 114.21 6.27 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.045 -1.034 . . . . 0.0 110.563 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.743 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 6.6 p -79.21 155.21 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.926 -1.109 . . . . 0.0 109.507 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' A' ' 29' ' ' LEU . 3.1 mt -71.34 -33.01 69.23 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 122.18 0.991 . . . . 0.0 108.844 -179.721 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.508 2.446 0 CA-C-O 121.516 0.674 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 3.2 mt -65.45 91.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.352 -0.842 . . . . 0.0 111.004 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.763 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 1.1 m -77.54 120.03 21.94 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.987 -1.07 . . . . 0.0 108.344 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.45 120.79 34.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 109.223 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.603 ' SG ' ' HG3' ' A' ' 69' ' ' MET . 25.5 p -129.94 153.64 48.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.882 -1.136 . . . . 0.0 110.831 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.486 HG22 ' HB2' ' A' ' 25' ' ' HIS . 19.9 tt -134.79 150.87 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.475 -0.766 . . . . 0.0 109.401 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' THR . 72.5 t -137.59 93.54 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.186 -0.946 . . . . 0.0 109.061 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 -93.24 0.51 Allowed Glycine 0 N--CA 1.499 2.842 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.82 8.36 10.53 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.361 -1.082 . . . . 0.0 110.797 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.8 mt -112.92 137.25 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 120.894 -1.129 . . . . 0.0 109.758 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.81 147.05 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.11 -0.994 . . . . 0.0 109.625 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.4 HG21 ' HG3' ' A' ' 68' ' ' LYS . 16.8 m -153.5 127.43 8.93 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.307 -0.871 . . . . 0.0 109.396 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.466 ' HA ' ' O ' ' A' ' 42' ' ' THR . 9.3 pt-20 -126.34 170.1 12.26 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.005 -1.06 . . . . 0.0 109.857 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 54' ' ' GLU . . . 126.59 -79.18 0.37 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.763 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 0.9 OUTLIER 65.08 -85.05 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.706 -0.879 . . . . 0.0 110.141 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.012 0 C-N-CA 119.949 -1.12 . . . . 0.0 110.787 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.638 ' O ' HD11 ' A' ' 10' ' ' ILE . 7.1 tttm . . . . . 0 N--CA 1.502 2.167 0 CA-C-O 122.38 1.086 . . . . 0.0 108.19 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.668 ' HG3' ' HD2' ' A' ' 9' ' ' PRO . 4.5 ttmt -175.79 -47.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.591 ' CB ' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -60.58 -57.42 12.79 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.035 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . . . -60.38 -40.76 92.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.452 -0.78 . . . . 0.0 109.092 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.31 -51.84 68.23 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.364 -0.835 . . . . 0.0 109.595 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.673 ' HG3' ' HG3' ' A' ' 9' ' ' PRO . 1.6 mt-10 -56.17 -42.04 76.41 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.434 -0.791 . . . . 0.0 109.107 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.55 ' O ' HG12 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.19 -42.09 93.94 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.576 -0.702 . . . . 0.0 109.241 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.603 ' HG3' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -65.54 -50.81 63.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.174 -0.954 . . . . 0.0 109.693 179.643 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.042 HD21 HG22 ' A' ' 13' ' ' VAL . 12.6 mt -51.39 -47.88 62.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.342 -0.848 . . . . 0.0 110.298 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 68' ' ' LYS . 8.1 p -69.48 -18.37 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.329 0 O-C-N 120.994 -1.066 . . . . 0.0 110.621 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -91.2 -56.16 3.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.677 -1.264 . . . . 0.0 110.133 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.22 -26.67 68.23 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.083 -1.011 . . . . 0.0 111.075 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 29.7 mt-30 -77.73 8.98 3.8 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.717 -1.24 . . . . 0.0 109.839 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.49 -9.5 15.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.0 110.251 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.222 -179.524 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.619 ' O ' HG23 ' A' ' 13' ' ' VAL . 30.7 Cg_endo . . . . . 0 N--CA 1.48 0.735 0 N-CA-C 111.148 -0.366 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.407 HD11 ' CG ' ' A' ' 62' ' ' LYS . 18.5 mt -55.93 -51.92 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.081 -1.012 . . . . 0.0 109.391 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -54.76 -50.15 69.13 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.192 -0.943 . . . . 0.0 109.706 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -53.78 -46.62 71.08 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.18 -0.95 . . . . 0.0 110.303 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.733 ' HA ' HD21 ' A' ' 70' ' ' LEU . 14.2 t -60.2 -44.47 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.013 -1.054 . . . . 0.0 109.194 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.515 ' HA ' HG21 ' A' ' 24' ' ' VAL . 36.3 m80 -64.77 -40.96 96.14 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.222 -0.924 . . . . 0.0 108.74 178.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 5.0 mm-40 -62.98 -51.88 65.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.706 -0.621 . . . . 0.0 110.433 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.511 HG12 ' HA ' ' A' ' 13' ' ' VAL . 4.0 pt -58.06 -32.46 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.702 -1.249 . . . . 0.0 110.077 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.481 ' N ' HG13 ' A' ' 16' ' ' ILE . . . -77.82 -44.03 13.22 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.7 mt -72.41 -42.12 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.398 -1.06 . . . . 0.0 110.207 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -56.7 -33.31 66.34 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.246 -0.909 . . . . 0.0 110.469 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 5.5 mtp180 -96.44 -73.64 0.59 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.373 -0.83 . . . . 0.0 109.216 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 20' ' ' ARG . 3.5 p30 167.11 52.31 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.431 -0.793 . . . . 0.0 109.753 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mtt -138.07 125.1 21.38 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.85 -1.156 . . . . 0.0 110.776 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.436 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.84 124.51 23.15 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.261 -0.899 . . . . 0.0 109.386 179.176 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.704 HG22 HG23 ' A' ' 46' ' ' VAL . 23.2 t -106.59 120.59 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.188 -0.945 . . . . 0.0 109.705 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.72 ' HB2' HG22 ' A' ' 45' ' ' ILE . 23.5 m-70 -133.64 125.56 28.97 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.104 -0.998 . . . . 0.0 110.197 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 8.5 m-85 -114.0 146.5 40.07 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.357 -0.839 . . . . 0.0 109.501 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -167.2 146.73 5.26 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.922 -1.111 . . . . 0.0 110.628 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 49.9 t -88.0 151.6 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.125 -0.984 . . . . 0.0 108.907 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.696 HD21 ' CB ' ' A' ' 43' ' ' ALA . 1.8 mt -99.51 -33.79 10.51 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.007 -1.058 . . . . 0.0 110.222 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.494 1.768 0 O-C-N 120.973 -1.079 . . . . 0.0 111.208 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.569 ' CG2' HD12 ' A' ' 29' ' ' LEU . 2.1 mp -57.2 108.29 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 120.772 -1.205 . . . . 0.0 110.363 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 92.4 m -109.34 141.84 41.1 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.338 -0.852 . . . . 0.0 109.206 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.696 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -125.11 155.32 40.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.193 -0.942 . . . . 0.0 109.809 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.422 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 1.7 p -147.09 146.86 30.1 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.284 -0.885 . . . . 0.0 110.325 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.72 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.1 tt -127.66 142.61 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.362 -0.837 . . . . 0.0 109.221 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 24' ' ' VAL . 9.9 p -138.19 108.31 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.415 -0.803 . . . . 0.0 109.957 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.2 -92.37 0.05 OUTLIER Glycine 0 N--CA 1.503 3.111 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.1 t -126.76 20.92 7.06 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.336 -1.096 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -126.05 129.37 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.999 -1.063 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.646 HG22 HG13 ' A' ' 45' ' ' ILE . 1.7 t -113.17 150.98 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.059 -1.026 . . . . 0.0 108.757 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 m -150.59 162.8 39.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.967 -1.083 . . . . 0.0 110.529 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -120.71 169.62 10.22 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.695 0.759 . . . . 0.0 110.788 -179.183 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.13 97.13 0.13 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -72.13 77.37 0.96 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.449 -1.03 . . . . 0.0 108.898 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.442 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.456 ' HB2' ' HE2' ' A' ' 62' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.209 0 CA-C-O 120.868 0.366 . . . . 0.0 110.61 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -98.36 -64.62 1.02 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.083 -1.011 . . . . 0.0 109.472 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 -51.58 -39.2 57.45 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.457 -0.777 . . . . 0.0 111.278 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.01 68.49 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.812 -1.18 . . . . 0.0 108.859 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.489 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -63.77 -37.53 87.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.439 -0.788 . . . . 0.0 109.544 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 71' ' ' VAL . 35.0 mt-10 -55.88 -52.87 62.56 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.285 -0.884 . . . . 0.0 109.577 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 14.8 ttmt -55.48 -46.77 76.84 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.426 -0.796 . . . . 0.0 110.104 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.1 ttt -67.41 -47.05 71.41 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.086 -1.009 . . . . 0.0 110.541 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.733 HD21 ' HA ' ' A' ' 13' ' ' VAL . 39.7 mt -63.26 -38.6 91.8 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.062 -1.024 . . . . 0.0 109.839 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 67' ' ' GLU . 53.7 t -58.73 -48.36 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.108 -0.995 . . . . 0.0 109.172 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' NZ ' ' A' ' 75' ' ' LYS . 47.8 mm-40 -70.89 -48.34 54.26 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.285 -0.884 . . . . 0.0 109.658 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -58.01 -37.16 73.8 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.062 -1.024 . . . . 0.0 110.435 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -68.65 -7.01 29.27 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.167 -0.958 . . . . 0.0 109.714 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.434 ' NZ ' ' OE1' ' A' ' 72' ' ' GLU . 12.7 ttmt -91.9 -9.52 42.92 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.411 -0.806 . . . . 0.0 109.783 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.287 -0.883 . . . . 0.0 110.932 -179.066 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.434 ' HB2' ' HG3' ' A' ' 12' ' ' GLN . 35.6 Cg_endo . . . . . 0 CA--C 1.541 0.862 0 CA-C-O 121.404 0.502 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.543 ' O ' HG12 ' A' ' 13' ' ' VAL . 95.4 mt -53.68 -51.71 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.209 -0.932 . . . . 0.0 110.352 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -39.84 65.63 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.922 -1.111 . . . . 0.0 109.968 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.669 ' HA ' ' HG2' ' A' ' 15' ' ' GLU . 4.6 mt-30 -64.5 -50.16 68.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.514 -0.741 . . . . 0.0 109.778 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.95 HG23 HD21 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -59.24 -39.44 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.54 -1.35 . . . . 0.0 108.557 178.857 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.491 ' HA ' HG11 ' A' ' 24' ' ' VAL . 6.8 m-70 -63.41 -52.83 59.92 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.669 ' HG2' ' HA ' ' A' ' 12' ' ' GLN . 3.6 pt-20 -61.06 -40.83 95.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.359 -0.838 . . . . 0.0 110.162 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.665 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 34.0 mm -68.41 -47.98 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 120.915 -1.115 . . . . 0.0 109.709 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.438 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -61.59 -51.95 54.23 Favored Glycine 0 N--CA 1.499 2.892 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.72 -47.7 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.392 -1.063 . . . . 0.0 109.446 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -55.77 -37.94 69.22 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.191 -0.943 . . . . 0.0 109.754 179.235 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -84.49 20.8 1.61 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.247 -0.908 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.78 29.94 16.71 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.96 -1.087 . . . . 0.0 110.516 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.1 mtm -113.71 126.48 55.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.885 -1.134 . . . . 0.0 109.751 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.84 122.43 17.31 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.13 -0.981 . . . . 0.0 109.669 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 14' ' ' HIS . 20.4 t -115.05 107.1 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.244 -0.91 . . . . 0.0 109.644 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.529 ' HB2' HG22 ' A' ' 45' ' ' ILE . 84.3 m-70 -122.23 132.47 54.45 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.16 -0.962 . . . . 0.0 109.704 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -128.25 91.26 3.22 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.29 -0.881 . . . . 0.0 110.007 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 28' ' ' VAL . 1.4 ttpt -120.44 120.99 37.51 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.157 -0.964 . . . . 0.0 110.366 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.4 p -70.32 154.34 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 120.869 -1.144 . . . . 0.0 109.929 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.019 HD21 ' HB2' ' A' ' 43' ' ' ALA . 13.4 mt -91.22 -64.4 1.13 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.971 -1.081 . . . . 0.0 109.31 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 121.228 0.537 . . . . 0.0 109.924 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 . . . . . 0 N--CA 1.499 2.005 0 CA-C-O 121.283 0.563 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 mm -85.85 124.0 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.008 -1.058 . . . . 0.0 109.256 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 34.4 m -100.62 146.24 27.39 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.21 -0.931 . . . . 0.0 109.396 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 1.019 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -118.35 121.44 40.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.835 -1.166 . . . . 0.0 109.779 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 6.5 p -134.83 152.2 51.56 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.961 -1.087 . . . . 0.0 109.094 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.758 HG13 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -133.06 136.24 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.127 -0.983 . . . . 0.0 109.756 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.732 HG12 ' HE2' ' A' ' 69' ' ' MET . 4.8 p -168.88 131.64 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.687 -0.633 . . . . 0.0 109.637 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.31 -101.34 0.08 OUTLIER Glycine 0 N--CA 1.5 2.932 0 N-CA-C 110.241 -1.143 . . . . 0.0 110.241 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 t -120.82 14.97 11.73 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.374 -1.074 . . . . 0.0 110.82 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.574 HD11 ' HG3' ' A' ' 72' ' ' GLU . 41.8 mm -108.52 144.85 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 120.928 -1.107 . . . . 0.0 110.236 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.758 HG22 HG13 ' A' ' 45' ' ' ILE . 45.4 t -134.37 163.39 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.82 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 39.8 p 28.17 -94.53 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 mm-40 44.32 20.61 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 177.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.471 ' HA3' ' HB ' ' A' ' 42' ' ' THR . . . -86.88 84.54 1.56 Allowed Glycine 0 N--CA 1.499 2.887 0 O-C-N 120.504 -1.372 . . . . 0.0 110.885 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -87.88 74.12 9.07 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.165 -1.197 . . . . 0.0 110.206 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.001 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.408 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -50.98 -61.84 1.98 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.718 -0.614 . . . . 0.0 109.793 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.74 -47.48 30.24 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.625 -0.672 . . . . 0.0 110.49 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.88 83.61 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.184 -0.947 . . . . 0.0 109.144 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.2 85.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.338 -0.851 . . . . 0.0 110.255 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.41 -42.88 70.97 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.206 -0.934 . . . . 0.0 109.442 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' HG12 ' A' ' 71' ' ' VAL . 12.3 ttmt -63.46 -40.28 96.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.439 -0.788 . . . . 0.0 109.325 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.732 ' HE2' HG12 ' A' ' 46' ' ' VAL . 5.9 mtt -68.21 -43.39 78.15 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.219 -0.926 . . . . 0.0 109.876 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.95 HD21 HG23 ' A' ' 13' ' ' VAL . 32.3 mt -59.92 -52.39 65.6 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.156 -0.965 . . . . 0.0 110.361 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 68' ' ' LYS . 12.1 p -56.68 -34.56 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.053 -1.029 . . . . 0.0 109.747 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG3' HD11 ' A' ' 49' ' ' ILE . 2.9 tm-20 -73.09 -57.82 3.75 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.233 -0.917 . . . . 0.0 109.329 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.6 mt -56.22 -28.44 58.36 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.282 -0.886 . . . . 0.0 110.308 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -87.43 9.96 19.06 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.088 -1.007 . . . . 0.0 109.681 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -115.49 -15.9 11.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.269 -0.895 . . . . 0.0 110.685 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.307 -179.649 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.5 Cg_endo . . . . . 0 N--CA 1.48 0.716 0 N-CA-C 110.677 -0.547 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.9 mt -94.69 -43.43 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.172 -0.955 . . . . 0.0 109.871 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -58.57 5.1 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.099 -1.0 . . . . 0.0 110.578 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -40.87 83.58 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.054 -1.029 . . . . 0.0 110.36 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.775 HG22 HD21 ' A' ' 70' ' ' LEU . 61.5 t -58.15 -42.29 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.813 -1.179 . . . . 0.0 108.61 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.651 ' HA ' HG21 ' A' ' 24' ' ' VAL . 35.2 m80 -66.88 -36.1 81.54 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -61.42 -54.18 46.94 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.586 -0.696 . . . . 0.0 109.906 178.691 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.572 HD13 HD13 ' A' ' 73' ' ' LEU . 1.2 pp -67.96 -38.57 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.196 -0.94 . . . . 0.0 109.675 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.642 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -62.15 -52.37 50.29 Favored Glycine 0 N--CA 1.5 2.94 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 18' ' ' ILE . 48.0 mm -79.93 61.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 4.0 ttmt -167.71 -53.2 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.099 -1.001 . . . . 0.0 109.379 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.04 34.19 1.6 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.213 -0.929 . . . . 0.0 109.471 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 55.24 54.62 8.49 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.327 -0.858 . . . . 0.0 110.087 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.642 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 3.8 mtt -120.74 132.89 55.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.036 -1.04 . . . . 0.0 110.123 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.539 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -85.83 100.13 11.85 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.106 -0.996 . . . . 0.0 110.152 -179.619 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.651 HG21 ' HA ' ' A' ' 14' ' ' HIS . 61.5 t -71.42 96.29 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.915 -1.116 . . . . 0.0 109.126 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.793 ' HB2' HG22 ' A' ' 45' ' ' ILE . 3.8 m-70 -117.18 78.41 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.929 -1.107 . . . . 0.0 110.211 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CD1' ' HB2' ' A' ' 44' ' ' CYS . 5.1 m-85 -69.27 160.19 31.68 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.48 -0.762 . . . . 0.0 109.972 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -175.2 -179.81 1.4 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.114 -0.991 . . . . 0.0 110.151 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -132.49 152.19 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.115 -0.991 . . . . 0.0 108.887 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 43' ' ' ALA . 8.0 mt -94.39 -52.33 4.39 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.155 -0.966 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.964 0 O-C-N 121.76 -0.587 . . . . 0.0 110.272 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.5 2.055 0 CA-C-O 121.471 0.653 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.578 ' CG2' HD12 ' A' ' 29' ' ' LEU . 10.2 mm -73.73 100.76 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.098 -1.001 . . . . 0.0 109.257 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.684 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 25.5 m -93.33 144.72 25.05 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.209 -0.932 . . . . 0.0 110.466 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.595 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -134.99 157.56 46.6 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.433 -0.792 . . . . 0.0 109.944 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' C ' HG23 ' A' ' 50' ' ' VAL . 42.2 t -151.84 121.15 6.79 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.918 -1.114 . . . . 0.0 109.589 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.793 HG22 ' HB2' ' A' ' 25' ' ' HIS . 8.1 tt -101.2 135.87 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.05 -1.031 . . . . 0.0 109.699 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.601 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 98.7 t -136.68 114.47 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . 57.2 42.69 93.47 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 5.0 m 82.98 -33.04 0.08 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.841 -0.799 . . . . 0.0 111.297 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -81.35 117.18 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.68 -1.262 . . . . 0.0 110.01 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.757 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 4.8 p -104.26 159.75 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.764 -1.21 . . . . 0.0 110.379 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.846 HG21 ' HB2' ' A' ' 69' ' ' MET . 14.7 t -122.2 142.68 50.17 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.22 134.25 51.33 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.253 -0.905 . . . . 0.0 108.86 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.513 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -129.54 93.43 0.33 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.05 83.19 0.22 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.628 -0.925 . . . . 0.0 110.015 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.793 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.695 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.595 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.23 -55.16 38.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.484 -0.76 . . . . 0.0 109.709 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -45.78 87.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.459 -0.776 . . . . 0.0 110.175 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.684 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -57.01 -44.56 82.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.195 -0.94 . . . . 0.0 109.594 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.97 -42.2 66.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.508 -0.745 . . . . 0.0 110.187 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 71' ' ' VAL . 38.5 mt-10 -51.93 -54.63 27.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.245 -0.91 . . . . 0.0 109.499 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.47 -45.22 89.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.45 -0.781 . . . . 0.0 110.23 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.846 ' HB2' HG21 ' A' ' 51' ' ' THR . 1.3 ttt -60.82 -52.5 64.79 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.014 -1.054 . . . . 0.0 109.639 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.775 HD21 HG22 ' A' ' 13' ' ' VAL . 85.4 mt -59.81 -44.64 93.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.465 -0.772 . . . . 0.0 109.482 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 67' ' ' GLU . 36.7 t -54.59 -39.26 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.269 -0.895 . . . . 0.0 109.832 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.18 -55.13 5.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.415 -0.803 . . . . 0.0 110.44 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.771 HD21 HD23 ' A' ' 70' ' ' LEU . 2.9 pp -62.44 -24.92 67.69 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.851 -1.156 . . . . 0.0 111.473 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -76.17 6.85 4.82 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.674 -1.267 . . . . 0.0 110.485 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -106.05 -17.66 14.26 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.99 -1.069 . . . . 0.0 110.314 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.485 1.306 0 O-C-N 121.302 -0.874 . . . . 0.0 109.845 -179.059 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' VAL . 36.8 Cg_endo . . . . . 0 CA--C 1.539 0.739 0 N-CA-C 110.818 -0.493 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.0 mm -64.29 -49.45 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.905 -1.122 . . . . 0.0 110.199 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -64.79 0.75 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.42 -0.8 . . . . 0.0 110.455 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -49.1 -41.27 35.2 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.165 -0.959 . . . . 0.0 110.754 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.797 HG21 ' HB1' ' A' ' 66' ' ' ALA . 41.6 t -59.33 -48.48 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.761 -1.212 . . . . 0.0 108.505 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -63.35 -40.11 96.38 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 2.6 mt-10 -57.94 -52.89 63.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.528 -0.733 . . . . 0.0 109.424 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.569 HD12 HD23 ' A' ' 70' ' ' LEU . 70.0 mt -62.12 -43.47 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.092 -1.005 . . . . 0.0 109.769 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.36 -44.2 98.36 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.6 mt -76.79 -34.26 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.613 -0.933 . . . . 0.0 109.954 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -54.81 -23.89 20.28 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.292 -0.88 . . . . 0.0 111.227 -179.608 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.38 -74.49 0.61 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.102 -0.999 . . . . 0.0 109.883 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 170.12 47.37 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.463 -0.773 . . . . 0.0 109.695 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.423 ' SD ' HD23 ' A' ' 73' ' ' LEU . 1.8 mtt -119.08 101.11 7.78 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.762 -1.211 . . . . 0.0 110.355 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.65 112.51 2.03 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.305 -0.872 . . . . 0.0 109.092 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 24' ' ' VAL . 13.1 p -89.96 125.11 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.443 -0.786 . . . . 0.0 110.261 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.873 ' HB2' HG22 ' A' ' 45' ' ' ILE . 87.3 m-70 -125.34 109.13 12.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.17 -0.956 . . . . 0.0 109.747 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -94.78 110.4 22.27 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.347 -0.846 . . . . 0.0 109.826 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 5.0 tttm -149.09 118.31 6.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.059 -1.026 . . . . 0.0 110.44 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 41' ' ' ILE . 46.4 t -55.57 145.38 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 120.94 -1.1 . . . . 0.0 109.053 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.867 HD23 ' HB2' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -87.63 -39.89 14.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.054 -1.029 . . . . 0.0 108.926 179.736 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.614 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 121.205 0.526 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.565 ' O ' HG13 ' A' ' 28' ' ' VAL . 2.6 mp -97.38 106.78 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.822 -1.174 . . . . 0.0 109.33 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.539 ' HA ' HG22 ' A' ' 28' ' ' VAL . 95.5 m -94.95 140.78 29.46 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.176 -0.953 . . . . 0.0 110.489 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.867 ' HB2' HD23 ' A' ' 29' ' ' LEU . . . -108.38 144.42 35.97 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 49.7 t -142.87 149.67 38.83 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.987 -1.071 . . . . 0.0 110.234 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.873 HG22 ' HB2' ' A' ' 25' ' ' HIS . 5.5 tt -129.42 148.76 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.371 -0.831 . . . . 0.0 109.094 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.563 HG21 HD21 ' A' ' 73' ' ' LEU . 3.7 m -138.13 101.03 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.206 -0.934 . . . . 0.0 109.745 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.47 -87.62 0.12 Allowed Glycine 0 N--CA 1.5 2.921 0 N-CA-C 110.021 -1.232 . . . . 0.0 110.021 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.1 p -131.13 18.5 4.96 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.269 -1.136 . . . . 0.0 110.719 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.496 ' HB ' HG23 ' A' ' 46' ' ' VAL . 32.1 mm -122.99 142.14 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.914 -1.116 . . . . 0.0 109.673 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.559 HG22 HG13 ' A' ' 45' ' ' ILE . 1.5 t -118.69 148.65 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.283 -0.886 . . . . 0.0 109.431 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.498 ' HB ' ' CG ' ' A' ' 69' ' ' MET . 1.2 m -162.82 147.23 11.58 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.494 -0.754 . . . . 0.0 109.07 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -122.88 177.9 5.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.99 . . . . 0.0 110.743 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.554 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -142.06 127.98 3.43 Favored Glycine 0 N--CA 1.501 2.975 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -91.53 36.95 0.95 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.588 -0.948 . . . . 0.0 110.583 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.041 0 O-C-N 120.896 -1.128 . . . . 0.0 110.346 179.776 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -64.81 -48.97 72.5 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.247 -0.908 . . . . 0.0 109.779 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 4.2 tpt85 -57.56 -44.15 85.04 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.573 -0.704 . . . . 0.0 110.128 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.554 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -68.76 -45.75 70.59 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.328 -0.858 . . . . 0.0 110.19 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.797 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -57.61 -64.65 0.83 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.297 -0.877 . . . . 0.0 110.961 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.5 mm-40 -51.19 -48.38 61.97 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.22 -0.925 . . . . 0.0 109.905 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -53.71 -37.53 63.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.274 -0.891 . . . . 0.0 110.51 179.346 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' HB ' ' A' ' 51' ' ' THR . 16.6 mtp -66.29 -53.35 37.65 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.137 -0.977 . . . . 0.0 109.255 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' A' ' 13' ' ' VAL . 10.5 mp -57.56 -41.18 80.52 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.415 -0.803 . . . . 0.0 109.212 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 67' ' ' GLU . 76.1 t -57.15 -34.79 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.332 -0.855 . . . . 0.0 109.842 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -85.27 -58.41 2.69 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.59 -0.694 . . . . 0.0 109.423 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 46' ' ' VAL . 9.5 mp -54.46 -33.18 59.17 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.421 -0.799 . . . . 0.0 111.255 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.98 24.16 0.95 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.723 -1.236 . . . . 0.0 109.449 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 -8.0 2.78 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.385 -0.822 . . . . 0.0 110.755 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.225 -0.922 . . . . 0.0 110.196 -179.544 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.681 ' O ' HG23 ' A' ' 13' ' ' VAL . 36.0 Cg_endo . . . . . 0 CA--C 1.543 0.942 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.542 HD11 ' HG2' ' A' ' 62' ' ' LYS . 12.4 mt -51.3 -48.12 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.32 0 O-C-N 121.483 -0.761 . . . . 0.0 110.412 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -60.55 3.21 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.577 -0.702 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -55.72 -37.71 68.78 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.211 -0.931 . . . . 0.0 110.072 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.907 HG22 HD21 ' A' ' 70' ' ' LEU . 61.5 t -62.26 -43.66 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.886 -1.134 . . . . 0.0 108.219 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -66.46 -39.92 89.1 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 24.8 mt-10 -59.88 -54.85 41.37 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.675 -0.64 . . . . 0.0 109.856 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.38 -37.95 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 120.957 -1.089 . . . . 0.0 109.988 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.571 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -65.16 -52.52 40.26 Favored Glycine 0 N--CA 1.499 2.873 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -62.11 -43.12 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.529 -0.983 . . . . 0.0 108.696 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.1 mttm -62.98 -16.33 59.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.455 -0.778 . . . . 0.0 110.499 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.81 21.77 12.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.009 -1.057 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.07 39.02 29.46 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.098 -1.001 . . . . 0.0 110.479 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.38 133.96 52.42 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.907 -1.121 . . . . 0.0 109.953 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.427 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -74.3 87.91 2.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.113 -0.992 . . . . 0.0 109.755 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.571 HG21 ' HA3' ' A' ' 17' ' ' GLY . 97.5 t -93.79 112.1 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.397 -0.814 . . . . 0.0 109.193 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.633 ' HB2' HG22 ' A' ' 45' ' ' ILE . 11.3 m-70 -131.02 126.09 35.0 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.214 -0.929 . . . . 0.0 109.378 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CE2' HG12 ' A' ' 10' ' ' ILE . 6.2 m-85 -100.54 148.32 24.93 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.32 -0.862 . . . . 0.0 110.213 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.1 110.7 3.55 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.411 -0.806 . . . . 0.0 109.381 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.623 HG21 ' HE2' ' A' ' 62' ' ' LYS . 6.7 t -86.6 139.76 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.899 -1.126 . . . . 0.0 109.303 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.591 HD12 ' CG2' ' A' ' 41' ' ' ILE . 3.4 mt -92.52 -40.34 10.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.281 -0.887 . . . . 0.0 109.719 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 40' ' ' PHE . 2.3 mpt_? . . . . . 0 N--CA 1.498 1.939 0 O-C-N 121.467 -0.77 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.46 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 25.1 m-85 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 121.388 0.613 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.672 HG23 ' HG2' ' A' ' 54' ' ' GLU . 1.4 mt -90.03 106.2 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 120.676 -1.265 . . . . 0.0 109.543 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 88.5 m -109.72 122.76 48.2 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.153 -0.967 . . . . 0.0 110.273 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.685 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -107.63 143.95 35.37 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.203 -0.936 . . . . 0.0 108.964 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.465 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 4.1 m -142.33 152.04 42.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.854 -1.153 . . . . 0.0 110.455 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.678 HG13 HG22 ' A' ' 50' ' ' VAL . 17.5 tt -121.49 140.89 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.157 -0.964 . . . . 0.0 109.029 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.81 HG21 ' HB3' ' A' ' 73' ' ' LEU . 12.5 p -132.92 74.88 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 109.839 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.427 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 43.53 -87.76 0.01 OUTLIER Glycine 0 N--CA 1.506 3.321 0 O-C-N 121.81 -0.556 . . . . 0.0 112.007 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 46' ' ' VAL . 48.7 m -44.87 -43.27 8.69 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.836 -0.802 . . . . 0.0 112.153 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -154.47 176.8 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.46 -1.4 . . . . 0.0 111.924 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.678 HG22 HG13 ' A' ' 45' ' ' ILE . 1.5 t -120.12 148.25 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.497 ' N ' ' HE1' ' A' ' 69' ' ' MET . 4.7 m -150.29 143.31 24.84 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.175 -0.953 . . . . 0.0 110.229 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.685 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 10.5 pt-20 -111.15 169.0 9.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.113 -0.992 . . . . 0.0 109.629 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.95 106.38 0.3 Allowed Glycine 0 N--CA 1.497 2.73 0 C-N-CA 119.929 -1.129 . . . . 0.0 110.47 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.672 ' HG2' HG23 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -85.38 78.28 9.77 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.456 -1.026 . . . . 0.0 109.194 179.255 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.874 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -179.641 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.623 ' HE2' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 120.948 0.404 . . . . 0.0 110.459 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -83.31 -60.4 2.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.116 -0.99 . . . . 0.0 109.73 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -50.7 -43.37 57.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.512 -0.743 . . . . 0.0 110.749 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.82 -47.73 83.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.133 -0.98 . . . . 0.0 109.129 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.713 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -68.28 -45.88 71.87 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -53.23 -48.1 68.46 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.164 -0.96 . . . . 0.0 109.812 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.54 -42.48 92.44 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.164 -0.96 . . . . 0.0 109.604 179.283 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.497 ' HE1' ' N ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -67.66 -39.12 84.57 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.123 -0.986 . . . . 0.0 109.568 179.291 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.907 HD21 HG22 ' A' ' 13' ' ' VAL . 33.6 mt -53.92 -53.41 53.02 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.504 -0.747 . . . . 0.0 110.224 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 68' ' ' LYS . 11.0 p -63.79 -33.58 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.056 -1.027 . . . . 0.0 109.673 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -66.63 -60.44 2.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.0 110.185 179.723 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.81 ' HB3' HG21 ' A' ' 46' ' ' VAL . 1.4 pp -64.17 -26.84 68.7 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.673 -1.267 . . . . 0.0 111.175 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -83.5 -12.81 55.81 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.815 -1.178 . . . . 0.0 110.794 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.586 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -101.74 -26.09 13.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.917 -1.114 . . . . 0.0 110.06 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.406 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 5.2 mt . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 122.669 0.388 . . . . 0.0 111.236 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 CA--C 1.547 1.132 0 CA-C-O 120.97 0.321 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.443 ' O ' HG12 ' A' ' 13' ' ' VAL . 48.5 mm -119.51 -47.76 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 120.727 -1.233 . . . . 0.0 110.731 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.3 -52.25 16.85 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.129 -0.982 . . . . 0.0 110.215 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.78 -44.1 97.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.319 -0.863 . . . . 0.0 110.073 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.544 HG23 ' CG ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -56.88 -39.94 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.047 -1.033 . . . . 0.0 108.678 179.112 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.515 ' HA ' HG21 ' A' ' 24' ' ' VAL . 17.6 m-70 -69.46 -41.55 76.08 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.69 -47.1 64.03 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.447 0.641 . . . . 0.0 109.289 178.556 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.32 -49.15 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.234 -0.916 . . . . 0.0 109.663 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.73 56.63 Favored Glycine 0 N--CA 1.499 2.885 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.5 mm -57.74 -47.84 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.409 -1.054 . . . . 0.0 109.458 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -50.91 -39.11 53.61 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.375 -0.828 . . . . 0.0 110.121 179.462 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -99.02 24.58 7.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.276 -0.89 . . . . 0.0 110.253 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 m120 52.19 33.36 12.26 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.158 -0.964 . . . . 0.0 110.451 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.0 mtm -103.07 120.04 39.96 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.069 -1.019 . . . . 0.0 109.583 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.42 125.12 23.15 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.153 -0.967 . . . . 0.0 109.829 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.574 HG13 HG12 ' A' ' 46' ' ' VAL . 39.4 t -106.22 118.63 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.36 -0.838 . . . . 0.0 109.256 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.633 ' HB2' HG22 ' A' ' 45' ' ' ILE . 34.7 m-70 -129.89 126.52 38.15 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.092 -1.005 . . . . 0.0 110.38 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CD2' ' HB2' ' A' ' 44' ' ' CYS . 23.1 m-85 -101.66 145.54 28.95 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.391 -0.818 . . . . 0.0 109.536 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -155.52 124.53 6.15 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.149 -0.969 . . . . 0.0 110.261 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 80.0 t -75.08 148.26 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.059 -1.026 . . . . 0.0 109.029 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.894 HD21 ' CB ' ' A' ' 43' ' ' ALA . 5.2 mt -96.66 -42.12 8.18 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.151 -0.968 . . . . 0.0 109.68 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.942 0 CA-C-O 121.584 0.707 . . . . 0.0 110.598 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 N--CA 1.499 2.024 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.628 ' CG2' HD12 ' A' ' 29' ' ' LEU . 22.4 mt -81.7 115.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.849 -1.157 . . . . 0.0 110.296 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.51 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 62.6 m -112.72 130.0 56.22 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.179 -0.95 . . . . 0.0 109.821 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.894 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -109.1 166.26 10.98 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.147 -0.971 . . . . 0.0 110.15 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 26' ' ' PHE . 29.1 t -159.64 152.47 21.65 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.332 -0.855 . . . . 0.0 110.34 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.633 HG22 ' HB2' ' A' ' 25' ' ' HIS . 12.6 tt -129.08 142.22 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.212 -0.93 . . . . 0.0 109.42 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.612 HG22 ' CE ' ' A' ' 69' ' ' MET . 16.4 m -134.22 105.34 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.166 -0.959 . . . . 0.0 109.956 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.57 -90.97 0.16 Allowed Glycine 0 N--CA 1.501 2.984 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.4 p -130.48 23.58 5.12 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.314 -1.109 . . . . 0.0 110.455 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mp -130.04 136.69 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.967 -1.083 . . . . 0.0 109.846 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.432 HG22 HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -117.75 143.7 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.187 -0.945 . . . . 0.0 109.499 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.461 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 51.1 m -157.61 143.8 17.64 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.44 -0.787 . . . . 0.0 109.244 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.67 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -121.82 -174.38 2.86 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.018 -1.051 . . . . 0.0 110.466 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.31 117.18 0.83 Allowed Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.28 72.97 5.9 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.252 -1.146 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.92 0 O-C-N 120.854 -1.154 . . . . 0.0 111.024 -179.449 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt . . . . . 0 N--CA 1.499 1.983 0 CA-C-O 120.924 0.392 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 11.4 ttpp -73.8 -63.74 1.15 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -52.1 -40.05 60.69 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.396 -0.815 . . . . 0.0 110.543 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.15 -51.86 67.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.203 -0.936 . . . . 0.0 109.24 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.99 76.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.257 -0.902 . . . . 0.0 109.751 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.462 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 46.0 mt-10 -54.65 -52.14 63.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.235 -0.916 . . . . 0.0 109.375 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' NZ ' ' HG3' ' A' ' 72' ' ' GLU . 7.6 tptt -56.69 -43.93 80.96 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.372 -0.83 . . . . 0.0 109.265 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.612 ' CE ' HG22 ' A' ' 46' ' ' VAL . 1.6 ttt -62.88 -54.99 30.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.514 -0.741 . . . . 0.0 110.215 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.544 ' CG ' HG23 ' A' ' 13' ' ' VAL . 50.3 mt -63.68 -50.08 70.64 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.074 -1.016 . . . . 0.0 110.712 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.8 t -45.69 -46.8 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 121.377 -0.827 . . . . 0.0 109.848 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.409 ' HG3' ' NZ ' ' A' ' 68' ' ' LYS . 1.2 mt-10 -82.27 -45.83 14.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.044 -1.035 . . . . 0.0 110.331 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 73' ' ' LEU . 70.2 mt -56.36 -28.62 59.64 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.059 -1.025 . . . . 0.0 110.242 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -87.4 -11.21 49.91 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.029 -1.045 . . . . 0.0 109.48 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -104.59 -24.18 13.02 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.402 -0.811 . . . . 0.0 109.953 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 CA--C 1.554 1.116 0 O-C-N 121.677 -0.639 . . . . 0.0 110.674 179.507 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.538 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 35.8 Cg_endo . . . . . 0 CA--C 1.544 1.002 0 N-CA-C 112.601 0.193 . . . . 0.0 112.601 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' SER . 41.2 mm -117.51 -78.28 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.492 -1.38 . . . . 0.0 111.819 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -37.43 -65.05 0.34 Allowed 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.332 -0.855 . . . . 0.0 111.218 -178.663 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -49.18 -39.64 30.17 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.358 -0.839 . . . . 0.0 110.626 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.669 HG22 HD11 ' A' ' 70' ' ' LEU . 36.2 t -63.87 -46.45 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 120.9 -1.125 . . . . 0.0 108.448 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.573 ' O ' HG22 ' A' ' 18' ' ' ILE . 15.6 m-70 -61.18 -50.3 73.73 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 6.3 mt-10 -52.21 -48.82 64.88 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 16' ' ' ILE . 15.0 mm -62.81 -38.49 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.207 -0.933 . . . . 0.0 109.17 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.34 -51.77 55.64 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER -74.59 -39.68 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 121.229 -1.159 . . . . 0.0 109.248 179.663 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HB3' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -59.47 -28.45 67.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.017 -1.052 . . . . 0.0 110.196 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.555 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -105.15 -60.63 1.59 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.481 -0.762 . . . . 0.0 109.828 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER 154.97 -1.44 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.883 0 O-C-N 122.099 -0.376 . . . . 0.0 111.222 179.573 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.423 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 2.6 mtt -72.56 147.55 45.8 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.35 -1.469 . . . . 0.0 110.651 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.605 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 42.2 p -65.86 -57.94 6.76 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.48 -0.763 . . . . 0.0 110.931 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.587 ' HA ' HG22 ' A' ' 46' ' ' VAL . 51.8 t 66.23 87.89 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-O 121.873 0.844 . . . . 0.0 109.812 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.606 ' HB2' HG22 ' A' ' 45' ' ' ILE . 6.6 m-70 -126.98 124.14 38.76 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.842 -1.161 . . . . 0.0 109.687 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 76.0 m-85 -112.96 132.44 55.35 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.318 -0.864 . . . . 0.0 110.025 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 6.9 tttm -148.76 124.31 10.38 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.087 -1.008 . . . . 0.0 110.183 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.737 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 2.4 p -75.62 153.75 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.801 -1.187 . . . . 0.0 110.432 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 43' ' ' ALA . 1.7 mt -113.97 -35.3 5.14 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.166 -0.959 . . . . 0.0 109.827 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.865 ' HB2' HG22 ' A' ' 41' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.891 0 O-C-N 121.45 -0.781 . . . . 0.0 109.477 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 . . . . . 0 N--CA 1.495 1.784 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.865 HG22 ' HB2' ' A' ' 30' ' ' ARG . 21.5 tt -106.72 121.88 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.45 -1.406 . . . . 0.0 110.281 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.737 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 27.5 m -121.92 128.53 51.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.428 -0.795 . . . . 0.0 109.517 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.587 ' HB3' HD21 ' A' ' 29' ' ' LEU . . . -101.06 150.0 23.36 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.243 -0.911 . . . . 0.0 109.767 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.2 p -147.09 144.23 28.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.082 -1.011 . . . . 0.0 110.244 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.606 HG22 ' HB2' ' A' ' 25' ' ' HIS . 17.1 tt -128.69 144.57 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.328 -0.857 . . . . 0.0 110.105 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 24' ' ' VAL . 61.3 t -134.89 104.86 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.115 -0.991 . . . . 0.0 109.521 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.48 -86.55 0.42 Allowed Glycine 0 N--CA 1.499 2.878 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -138.87 20.33 2.66 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.378 -1.072 . . . . 0.0 110.381 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.72 HD13 HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -123.25 141.34 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.986 -1.071 . . . . 0.0 108.864 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG22 HG13 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -123.25 146.93 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.261 -0.9 . . . . 0.0 109.797 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.594 HG21 ' HD3' ' A' ' 68' ' ' LYS . 1.2 m -148.01 124.61 11.08 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.503 -0.748 . . . . 0.0 109.413 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -88.43 159.05 18.17 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.362 -0.836 . . . . 0.0 110.918 -179.429 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.885 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -132.58 96.27 0.31 Allowed Glycine 0 N--CA 1.498 2.805 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -85.84 30.77 0.64 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.44 -1.035 . . . . 0.0 111.259 -179.269 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.393 0 O-C-N 120.863 -1.148 . . . . 0.0 110.364 179.166 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.941 0 CA-C-O 121.705 0.764 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.77 -63.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -38.36 19.32 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.442 -0.786 . . . . 0.0 110.168 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.885 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -65.66 -39.59 91.52 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.118 -0.989 . . . . 0.0 109.452 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . . . -76.87 -57.0 4.1 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.378 -0.826 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.768 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -50.16 -52.06 38.44 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.305 -0.872 . . . . 0.0 109.382 179.602 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.594 ' HD3' HG21 ' A' ' 51' ' ' THR . 1.9 tttm -53.53 -47.81 69.61 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.569 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -54.86 -49.23 71.64 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.449 -0.782 . . . . 0.0 109.556 178.774 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.669 HD11 HG22 ' A' ' 13' ' ' VAL . 2.2 mt -63.46 -35.07 79.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.715 -1.24 . . . . 0.0 108.977 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 67' ' ' GLU . 94.4 t -58.37 -55.02 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.388 -0.82 . . . . 0.0 109.149 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -67.83 -42.69 81.06 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.162 -0.961 . . . . 0.0 109.941 179.09 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 49' ' ' ILE . 76.4 mt -60.53 -30.67 69.89 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.015 -1.053 . . . . 0.0 110.743 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -81.42 6.61 14.01 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.896 -1.127 . . . . 0.0 110.063 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.21 4.32 6.38 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.081 -1.012 . . . . 0.0 110.99 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.159 -179.782 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.527 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 36.1 Cg_endo . . . . . 0 CA--C 1.542 0.906 0 N-CA-C 110.007 -0.805 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' A' ' 9' ' ' PRO . 87.4 mt 69.57 -58.78 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 121.353 -0.842 . . . . 0.0 109.895 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -54.52 -68.35 0.19 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.276 -0.89 . . . . 0.0 109.501 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -54.18 -25.93 25.29 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.257 -0.902 . . . . 0.0 109.701 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.833 HG22 HD21 ' A' ' 70' ' ' LEU . 40.9 t -69.41 -39.61 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.895 -1.128 . . . . 0.0 108.086 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.45 ' CG ' HG11 ' A' ' 24' ' ' VAL . 17.4 m80 -65.56 -44.83 85.57 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 15.5 mt-10 -61.99 -59.31 5.29 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.189 0.518 . . . . 0.0 110.106 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.776 HD13 ' CD1' ' A' ' 73' ' ' LEU . 9.7 tt -63.45 -37.64 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.261 -0.899 . . . . 0.0 109.634 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.33 -57.37 20.04 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.3 mm -59.14 -46.75 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.285 -1.126 . . . . 0.0 108.925 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 3.8 tttm -54.35 -32.06 55.92 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.481 -0.762 . . . . 0.0 110.646 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -105.46 23.19 14.18 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.071 -1.018 . . . . 0.0 110.295 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 54.96 36.58 27.17 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.017 -1.052 . . . . 0.0 109.729 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.652 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 9.1 mtt -113.46 109.95 19.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.972 . . . . 0.0 110.067 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 m -70.3 104.95 2.82 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.964 -1.085 . . . . 0.0 109.226 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.4 p -68.21 98.86 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 CA-C-O 121.725 0.774 . . . . 0.0 110.28 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.872 ' HB2' HG22 ' A' ' 45' ' ' ILE . 29.8 m-70 -103.25 97.47 7.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.986 -1.072 . . . . 0.0 110.055 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -90.03 119.61 30.52 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.305 -0.872 . . . . 0.0 109.379 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 22.7 tttm -149.8 139.47 21.69 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.864 -1.147 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 93.6 t -80.31 148.0 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.203 -0.936 . . . . 0.0 109.005 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 43' ' ' ALA . 9.2 mt -81.03 -40.55 24.05 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.131 -0.98 . . . . 0.0 108.767 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.953 0 O-C-N 121.785 -0.572 . . . . 0.0 109.548 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.432 ' CB ' HD12 ' A' ' 41' ' ' ILE . 4.4 m-85 . . . . . 0 N--CA 1.503 2.197 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.487 HG21 HD12 ' A' ' 29' ' ' LEU . 3.2 mp -142.28 107.94 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.761 -1.212 . . . . 0.0 110.707 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 1.7 m -104.45 121.7 43.98 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.766 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -107.66 135.28 49.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.383 -0.823 . . . . 0.0 109.869 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.49 ' HB3' ' HG3' ' A' ' 69' ' ' MET . 42.5 t -120.99 121.03 37.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.234 -0.916 . . . . 0.0 109.531 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.872 HG22 ' HB2' ' A' ' 25' ' ' HIS . 11.5 tt -108.37 145.01 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.138 -0.976 . . . . 0.0 109.911 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 22' ' ' MET . 2.9 m -134.17 111.01 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.56 -0.713 . . . . 0.0 109.483 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.49 -82.35 0.28 Allowed Glycine 0 N--CA 1.5 2.948 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -142.82 16.98 1.97 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.229 -1.159 . . . . 0.0 111.014 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -135.04 138.78 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.931 -1.106 . . . . 0.0 109.042 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.663 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 2.6 p -123.78 156.76 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.84 -1.163 . . . . 0.0 111.056 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' CG2' ' A' ' 50' ' ' VAL . 8.4 m -125.21 98.66 5.74 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 8.0 mt-10 -83.93 141.24 31.4 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.267 -0.896 . . . . 0.0 109.441 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 54' ' ' GLU . . . 176.82 -124.87 0.98 Allowed Glycine 0 N--CA 1.497 2.707 0 C-N-CA 119.502 -1.332 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.574 ' HA ' ' HG3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER 82.73 -148.91 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.032 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.892 0 C-N-CA 119.52 -1.324 . . . . 0.0 111.167 -178.963 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? . . . . . 0 N--CA 1.503 2.21 0 CA-C-O 122.251 1.024 . . . . 0.0 108.697 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 14.0 tttm -167.4 -60.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.574 ' HG3' ' HA ' ' A' ' 54' ' ' GLU . 15.7 tpt180 -44.98 -49.99 10.89 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.224 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . . . -69.62 -48.63 59.35 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.949 -1.094 . . . . 0.0 110.47 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 9' ' ' PRO . . . -57.82 -43.63 85.88 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.167 -0.958 . . . . 0.0 110.481 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 49.2 mt-10 -58.54 -50.85 72.27 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.591 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.31 -37.52 77.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.444 -0.785 . . . . 0.0 109.465 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.526 ' CE ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -64.23 -44.16 92.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.993 -1.067 . . . . 0.0 109.399 179.407 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.833 HD21 HG22 ' A' ' 13' ' ' VAL . 32.5 mt -54.77 -53.34 56.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.303 -0.873 . . . . 0.0 110.248 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 68' ' ' LYS . 9.0 m -61.1 -28.96 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 120.952 -1.092 . . . . 0.0 110.026 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.627 ' HA ' ' NZ ' ' A' ' 75' ' ' LYS . 5.3 mm-40 -78.35 -49.33 13.78 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.679 -1.263 . . . . 0.0 110.176 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.776 ' CD1' HD13 ' A' ' 16' ' ' ILE . 1.5 pp -70.87 -22.11 62.33 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.978 -1.076 . . . . 0.0 110.901 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -9.99 59.06 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.941 -1.099 . . . . 0.0 110.824 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.627 ' NZ ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -90.24 -24.88 20.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.978 -1.076 . . . . 0.0 110.135 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 O-C-N 121.479 -0.763 . . . . 0.0 110.302 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.434 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 36.5 Cg_endo . . . . . 0 N--CA 1.484 0.955 0 CA-C-O 120.638 0.183 . . . . 0.0 112.182 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -130.16 -55.72 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.895 -1.128 . . . . 0.0 110.143 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -69.04 0.15 Allowed 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.599 -0.688 . . . . 0.0 110.489 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.15 -37.55 54.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.317 -0.864 . . . . 0.0 110.594 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.998 HG22 HD21 ' A' ' 70' ' ' LEU . 58.1 t -58.8 -40.65 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.611 -1.306 . . . . 0.0 108.08 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -70.02 -49.15 54.26 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -55.78 -43.19 76.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.602 -0.686 . . . . 0.0 110.672 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -81.24 -39.63 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.837 -1.164 . . . . 0.0 109.101 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.516 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -57.4 -55.5 30.1 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.89 -50.01 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.373 -1.075 . . . . 0.0 109.419 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -37.17 83.67 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.286 -0.884 . . . . 0.0 110.628 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -87.34 20.03 2.99 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.88 -1.138 . . . . 0.0 110.921 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.2 34.86 24.54 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.069 -1.019 . . . . 0.0 110.441 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.471 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 14.1 mtp -100.48 138.25 37.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.811 -1.181 . . . . 0.0 109.79 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -57.32 -51.24 70.19 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.442 -0.786 . . . . 0.0 110.46 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.516 HG21 ' HA3' ' A' ' 17' ' ' GLY . 40.2 t 62.95 72.83 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-O 121.729 0.776 . . . . 0.0 109.326 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.647 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 4.6 m-70 -119.77 120.74 37.43 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.776 -1.202 . . . . 0.0 109.831 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -107.1 125.16 50.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.484 -0.76 . . . . 0.0 109.294 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -142.81 129.63 20.5 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.136 -0.977 . . . . 0.0 109.874 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 t -87.08 143.45 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.985 -1.072 . . . . 0.0 108.819 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.585 HD12 HG12 ' A' ' 41' ' ' ILE . 3.2 mt -91.39 -37.27 13.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.242 -0.911 . . . . 0.0 109.646 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.518 -0.738 . . . . 0.0 109.822 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 . . . . . 0 N--CA 1.498 1.944 0 CA-C-O 121.267 0.556 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.585 HG12 HD12 ' A' ' 29' ' ' LEU . 1.6 tp -114.11 98.77 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.009 -1.057 . . . . 0.0 109.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.93 ' HG1' ' N ' ' A' ' 62' ' ' LYS . 12.6 m -87.83 120.24 28.95 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.263 -0.898 . . . . 0.0 110.515 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.536 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -103.02 140.94 36.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 108.555 178.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.1 p -136.64 135.72 38.53 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.794 -1.192 . . . . 0.0 110.337 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.788 ' HB ' HG13 ' A' ' 50' ' ' VAL . 17.3 tt -123.01 133.83 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.182 -0.949 . . . . 0.0 109.554 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 38.7 t -129.44 102.55 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.167 -0.958 . . . . 0.0 109.722 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.33 -110.83 3.47 Favored Glycine 0 N--CA 1.498 2.828 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -109.67 20.36 18.2 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.393 -1.063 . . . . 0.0 110.685 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 91.9 mt -127.29 134.78 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.882 -1.136 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.788 HG13 ' HB ' ' A' ' 45' ' ' ILE . 1.1 t -122.94 145.29 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.165 -0.959 . . . . 0.0 109.248 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.9 m -141.67 135.39 29.84 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.473 -0.767 . . . . 0.0 110.121 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -100.16 142.95 30.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.352 -0.842 . . . . 0.0 109.584 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -126.17 90.16 0.37 Allowed Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -68.88 74.4 0.29 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.509 -0.995 . . . . 0.0 110.408 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.862 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 179.389 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.93 ' N ' ' HG1' ' A' ' 42' ' ' THR . 21.2 mttm . . . . . 0 N--CA 1.5 2.051 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 36.4 tttm -87.35 -56.62 3.28 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.136 -0.977 . . . . 0.0 109.171 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -47.61 -45.53 27.68 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.714 -0.616 . . . . 0.0 111.579 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.481 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -64.41 -39.21 93.41 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.161 -0.962 . . . . 0.0 110.697 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 9' ' ' PRO . . . -71.45 -49.16 44.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.27 -0.894 . . . . 0.0 109.914 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 34.0 mt-10 -49.78 -54.18 20.65 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.645 -0.659 . . . . 0.0 110.001 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.572 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 2.9 tttp -56.8 -45.94 81.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.526 -0.734 . . . . 0.0 109.31 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.1 tpp -49.37 -50.74 38.77 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.036 -1.04 . . . . 0.0 109.789 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.998 HD21 HG22 ' A' ' 13' ' ' VAL . 64.3 mt -66.14 -40.63 90.76 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.14 -0.975 . . . . 0.0 109.847 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.95 -45.74 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.377 -0.827 . . . . 0.0 110.345 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 1.6 mm-40 -72.57 -47.52 47.41 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.232 -0.917 . . . . 0.0 109.296 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 73' ' ' LEU . 59.6 mt -58.25 -35.5 71.83 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.952 -1.093 . . . . 0.0 110.314 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -81.23 -15.52 55.39 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.919 -1.113 . . . . 0.0 109.887 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HE3' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -98.59 -35.53 10.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.063 -1.023 . . . . 0.0 109.93 179.492 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 117.684 -1.15 . . . . 0.0 109.992 -179.492 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.489 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 34.8 Cg_endo . . . . . 0 CA--C 1.538 0.693 0 N-CA-C 110.714 -0.533 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.521 HG13 ' HB2' ' A' ' 66' ' ' ALA . 3.8 mt 69.67 -60.58 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.737 -0.602 . . . . 0.0 110.209 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -74.95 0.09 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.541 -0.725 . . . . 0.0 110.091 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.5 -35.93 31.55 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.997 -1.064 . . . . 0.0 109.62 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.103 HG22 HD21 ' A' ' 70' ' ' LEU . 98.0 t -62.21 -46.2 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.264 -0.897 . . . . 0.0 108.844 178.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -65.72 -39.7 91.45 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.03 -52.35 65.33 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.885 -0.509 . . . . 0.0 110.643 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.437 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 1.4 pp -76.3 -32.25 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.691 -1.255 . . . . 0.0 109.955 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.584 ' O ' ' HB3' ' A' ' 22' ' ' MET . . . -64.33 -52.17 46.14 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 107.617 -2.193 . . . . 0.0 107.617 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 18' ' ' ILE . 18.0 mt -93.87 51.78 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -86.41 101.72 13.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.011 -1.68 . . . . 0.0 111.76 -177.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 43.1 mtt85 40.25 39.12 0.62 Allowed 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.668 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 20' ' ' ARG . 1.2 t-20 166.32 -67.94 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.514 0 O-C-N 120.891 -1.131 . . . . 0.0 111.393 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.584 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 3.6 mtm -58.02 165.37 1.89 Allowed 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.785 0.803 . . . . 0.0 111.105 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -123.66 151.57 42.93 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.257 -0.902 . . . . 0.0 109.512 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 46' ' ' VAL . 69.4 t -131.4 124.76 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.329 -0.857 . . . . 0.0 109.578 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.76 ' HB2' HG22 ' A' ' 45' ' ' ILE . 75.8 m-70 -122.92 125.41 45.27 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.267 -0.896 . . . . 0.0 109.617 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.404 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 4.7 m-85 -123.39 108.07 12.31 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.377 -0.827 . . . . 0.0 109.8 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -132.15 135.37 46.33 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.098 -1.001 . . . . 0.0 110.184 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.614 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 3.5 t -76.21 142.07 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.379 -0.825 . . . . 0.0 109.084 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.711 HD21 ' CB ' ' A' ' 43' ' ' ALA . 7.7 mt -86.18 -35.32 20.17 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.049 -1.032 . . . . 0.0 108.539 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HB2' ' HB2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.616 -0.678 . . . . 0.0 109.888 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.413 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 24.7 m-85 . . . . . 0 N--CA 1.504 2.256 0 CA-C-O 120.681 0.276 . . . . 0.0 111.634 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.45 130.5 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.593 -1.317 . . . . 0.0 110.494 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.671 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -123.1 133.27 54.3 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.62 -0.675 . . . . 0.0 109.436 179.369 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.711 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -105.5 120.11 40.81 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 20.5 p -120.92 149.37 42.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.059 -1.026 . . . . 0.0 110.882 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.76 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.9 tt -131.82 142.24 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.188 -0.945 . . . . 0.0 109.806 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 24' ' ' VAL . 95.8 t -135.4 113.59 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.531 -0.73 . . . . 0.0 109.24 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.527 ' HA3' ' SD ' ' A' ' 22' ' ' MET . . . 59.6 -99.74 0.16 Allowed Glycine 0 N--CA 1.502 3.04 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.3 m -122.7 23.96 9.31 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.199 -1.177 . . . . 0.0 110.635 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 90.2 mt -130.26 137.16 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 120.934 -1.103 . . . . 0.0 109.515 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.41 146.66 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.182 -0.949 . . . . 0.0 108.894 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.64 HG21 ' CA ' ' A' ' 69' ' ' MET . 27.3 m -146.2 125.08 12.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.401 -0.812 . . . . 0.0 110.273 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HG2' ' HA ' ' A' ' 43' ' ' ALA . 22.0 mt-10 -111.1 151.02 28.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.967 -1.083 . . . . 0.0 109.721 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 54' ' ' GLU . . . -174.81 -110.85 0.26 Allowed Glycine 0 N--CA 1.5 2.901 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.671 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 1.1 tp10 85.72 -82.9 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.402 0 O-C-N 122.109 -0.642 . . . . 0.0 109.921 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.141 0 O-C-N 120.789 -1.194 . . . . 0.0 110.213 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 10' ' ' ILE . 37.8 mmtt . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 13.5 mtpt -67.76 -56.14 10.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.578 -0.702 . . . . 0.0 109.108 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.579 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 8.7 ttt-85 -63.48 -41.21 98.59 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.394 -0.816 . . . . 0.0 110.615 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.58 75.09 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.045 -1.034 . . . . 0.0 109.363 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.521 ' HB2' HG13 ' A' ' 10' ' ' ILE . . . -66.82 -50.89 61.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.347 -0.846 . . . . 0.0 109.762 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -56.02 -48.93 75.02 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.398 -0.814 . . . . 0.0 109.284 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 6.4 tmtt? -52.73 -42.72 65.15 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.303 -0.873 . . . . 0.0 109.515 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.64 ' CA ' HG21 ' A' ' 51' ' ' THR . 3.8 ttt -71.66 -38.33 70.69 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.852 -1.155 . . . . 0.0 109.152 178.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.103 HD21 HG22 ' A' ' 13' ' ' VAL . 24.5 mt -59.67 -50.07 75.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.143 -0.973 . . . . 0.0 108.956 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.455 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 25.2 m -66.42 -22.76 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 120.934 -1.104 . . . . 0.0 110.214 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.73 -53.96 6.59 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.481 HD11 ' HG2' ' A' ' 69' ' ' MET . 20.6 mt -62.81 -32.4 73.58 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.68 -0.637 . . . . 0.0 110.73 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -77.77 11.76 2.0 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.826 -1.171 . . . . 0.0 111.245 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -127.77 -7.19 5.6 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.747 -1.221 . . . . 0.0 111.629 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.0 110.07 -179.643 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 CA--C 1.539 0.742 0 CA-C-O 120.835 0.265 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.7 mt -131.57 -67.17 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.748 -1.22 . . . . 0.0 111.013 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 12' ' ' GLN . 66.2 p -42.72 -66.39 0.37 Allowed 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.224 -0.923 . . . . 0.0 110.608 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.489 ' HA ' ' CD ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -52.3 -40.27 61.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.314 -0.866 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.869 HG22 ' HG ' ' A' ' 70' ' ' LEU . 40.4 t -59.58 -43.18 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -64.53 -45.17 88.32 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.489 ' CD ' ' HA ' ' A' ' 12' ' ' GLN . 28.0 mt-10 -55.04 -50.16 69.79 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.532 -0.73 . . . . 0.0 109.182 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.69 -45.78 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.312 -0.868 . . . . 0.0 109.401 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.407 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -56.24 -53.55 42.03 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.8 -44.91 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.469 -1.018 . . . . 0.0 108.99 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.5 tptt -54.26 -45.6 72.43 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.336 -0.852 . . . . 0.0 109.81 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HD2' ' SD ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -91.65 14.78 14.18 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.904 . . . . 0.0 110.364 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 51.34 38.14 20.8 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.131 -0.98 . . . . 0.0 109.912 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.406 ' SD ' ' HD2' ' A' ' 20' ' ' ARG . 3.6 mtt -97.71 134.52 40.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.209 -0.932 . . . . 0.0 110.129 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.537 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -73.74 79.17 1.56 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.041 -1.037 . . . . 0.0 109.014 179.115 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.471 HG12 ' HE1' ' A' ' 26' ' ' PHE . 15.8 t -88.44 97.98 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.517 -0.739 . . . . 0.0 109.32 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.537 ' NE2' HG22 ' A' ' 23' ' ' THR . 11.4 m-70 -132.15 116.46 17.02 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.08 -1.012 . . . . 0.0 109.803 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.661 ' HB3' ' CB ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -130.69 154.82 47.53 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.982 -1.074 . . . . 0.0 110.712 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.98 151.81 6.15 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.448 -0.782 . . . . 0.0 109.868 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.639 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 4.8 m -76.33 150.83 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.033 -1.042 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 43' ' ' ALA . 6.5 mt -97.08 -42.8 7.69 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.164 -0.96 . . . . 0.0 109.027 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 tpt85 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.532 -0.73 . . . . 0.0 109.41 179.689 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.455 ' HB3' ' OE1' ' A' ' 54' ' ' GLU . 22.4 m-85 . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.472 0.653 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.418 HG23 ' HA2' ' A' ' 53' ' ' GLY . 3.2 mp -143.58 105.62 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.426 -0.796 . . . . 0.0 109.048 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 1.1 m -108.31 124.7 50.73 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.087 -1.008 . . . . 0.0 110.571 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.767 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -80.8 122.68 27.48 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.661 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . 19.3 p -123.21 136.27 54.66 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.167 -0.958 . . . . 0.0 111.374 -178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.702 ' CG1' HG13 ' A' ' 50' ' ' VAL . 1.6 mt -117.51 134.8 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.737 HG22 ' HE3' ' A' ' 69' ' ' MET . 5.6 m -133.24 88.3 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-O 121.794 0.806 . . . . 0.0 109.065 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.514 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 49.38 75.02 0.22 Allowed Glycine 0 N--CA 1.501 3.027 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 t 79.17 -43.14 0.31 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.475 -1.015 . . . . 0.0 111.369 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.706 ' HB ' HG23 ' A' ' 46' ' ' VAL . 43.5 mt -71.98 135.52 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.608 -1.308 . . . . 0.0 109.204 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.702 HG13 ' CG1' ' A' ' 45' ' ' ILE . 2.1 t -135.43 148.26 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 120.826 -1.171 . . . . 0.0 110.718 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.71 157.1 34.52 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 4.3 pt-20 -147.55 159.09 44.14 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.403 -1.435 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' HA2' HG23 ' A' ' 41' ' ' ILE . . . 127.2 166.53 12.15 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.842 ' HG3' ' HB2' ' A' ' 65' ' ' ALA . 1.5 tt0 -160.43 -163.66 1.13 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.986 -1.302 . . . . 0.0 111.051 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.439 ' HA2' ' NH1' ' A' ' 64' ' ' ARG . . . . . . . . 0 N--CA 1.5 2.965 0 O-C-N 121.35 -0.844 . . . . 0.0 111.295 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.8 pttt . . . . . 0 N--CA 1.504 2.238 0 CA-C-O 120.907 0.384 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.604 ' CE ' ' HG3' ' A' ' 67' ' ' GLU . 1.6 tptm -60.95 -39.07 88.08 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.041 -1.037 . . . . 0.0 109.796 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.439 ' NH1' ' HA2' ' A' ' 55' ' ' GLY . 12.7 ttt-85 -77.23 -46.54 22.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.141 -0.974 . . . . 0.0 110.325 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.842 ' HB2' ' HG3' ' A' ' 54' ' ' GLU . . . -67.29 -47.51 70.4 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.236 -0.915 . . . . 0.0 110.665 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.03 -55.23 11.44 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.93 -1.106 . . . . 0.0 111.333 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.604 ' HG3' ' CE ' ' A' ' 63' ' ' LYS . 1.4 mt-10 -55.3 -40.21 70.82 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.838 -1.164 . . . . 0.0 109.915 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -57.84 -47.84 81.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.02 -1.05 . . . . 0.0 108.986 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.737 ' HE3' HG22 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -64.11 -47.16 81.08 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.339 -0.85 . . . . 0.0 109.3 178.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.869 ' HG ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -60.55 -38.5 84.71 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.265 -0.897 . . . . 0.0 110.408 179.577 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 67' ' ' GLU . 55.1 t -62.24 -50.83 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.182 -0.948 . . . . 0.0 109.624 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -46.4 89.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.247 -0.908 . . . . 0.0 109.316 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.435 HD11 HG21 ' A' ' 46' ' ' VAL . 92.9 mt -72.32 -8.74 56.54 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.302 -0.873 . . . . 0.0 110.776 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -15.86 63.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.693 -1.255 . . . . 0.0 110.27 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.52 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -122.33 -5.12 8.84 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.104 -0.998 . . . . 0.0 111.022 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.0 mt . . . . . 0 N--CA 1.49 1.558 0 O-C-N 120.594 -1.316 . . . . 0.0 110.578 -179.146 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.678 ' O ' HG23 ' A' ' 13' ' ' VAL . 36.6 Cg_endo . . . . . 0 CA--C 1.545 1.041 0 CA-C-O 120.566 0.153 . . . . 0.0 112.142 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.0 mt -48.44 -49.2 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 120.948 -1.095 . . . . 0.0 110.061 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 p -53.99 -60.31 3.49 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.377 -0.827 . . . . 0.0 109.45 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -53.54 -41.21 66.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.609 -0.682 . . . . 0.0 110.159 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.837 HG22 HD21 ' A' ' 70' ' ' LEU . 42.8 t -59.88 -45.27 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.94 -1.1 . . . . 0.0 108.378 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -63.81 -44.01 94.54 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 26.5 mt-10 -58.26 -48.23 81.08 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.656 -0.652 . . . . 0.0 109.499 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -59.26 -46.61 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.326 -0.859 . . . . 0.0 109.621 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 -48.61 80.26 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.642 HG13 HG21 ' A' ' 24' ' ' VAL . 43.5 mt -62.46 -49.42 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.417 -1.049 . . . . 0.0 109.632 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 4.6 tttp -54.29 -39.78 67.27 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.358 -0.839 . . . . 0.0 110.197 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' NH2' ' O ' ' A' ' 73' ' ' LEU . 6.3 mtm180 -91.12 18.76 6.45 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.109 -0.994 . . . . 0.0 110.341 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 52.17 38.62 24.92 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.13 -0.981 . . . . 0.0 110.181 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.536 ' SD ' HD22 ' A' ' 73' ' ' LEU . 19.7 mtp -101.64 138.73 38.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.045 -1.034 . . . . 0.0 109.9 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.544 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -56.91 110.24 0.78 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.238 -0.914 . . . . 0.0 109.824 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.642 HG21 HG13 ' A' ' 18' ' ' ILE . 41.3 t -81.92 69.37 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.869 -1.144 . . . . 0.0 109.063 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.52 ' HB2' HG22 ' A' ' 45' ' ' ILE . 10.0 m-70 -85.44 84.94 7.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.93 -1.107 . . . . 0.0 110.339 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.453 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 5.8 m-85 -109.87 115.21 29.4 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.251 -0.905 . . . . 0.0 108.749 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CE ' ' O ' ' A' ' 28' ' ' VAL . 2.2 ttpt -154.58 141.73 19.41 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.861 -1.15 . . . . 0.0 110.765 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.664 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 17.8 t -86.3 142.16 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.927 -1.108 . . . . 0.0 109.343 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.428 HD12 ' CG2' ' A' ' 41' ' ' ILE . 2.3 mt -95.05 -41.45 9.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.252 -0.905 . . . . 0.0 109.952 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HB2' HD12 ' A' ' 41' ' ' ILE . 11.3 mtt180 . . . . . 0 N--CA 1.497 1.912 0 O-C-N 121.392 -0.817 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 6.5 m-85 . . . . . 0 N--CA 1.493 1.713 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.598 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 55.3 mt -97.67 91.36 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 120.794 -1.191 . . . . 0.0 110.648 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.664 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 55.1 m -95.08 128.74 42.14 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.199 -0.938 . . . . 0.0 108.85 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.752 ' HB1' ' O ' ' A' ' 51' ' ' THR . . . -113.68 168.11 10.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.892 -1.13 . . . . 0.0 111.921 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.645 ' HB2' HG11 ' A' ' 50' ' ' VAL . 14.1 m -152.79 159.87 43.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.72 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -170.2 143.71 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.366 -0.833 . . . . 0.0 110.845 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.746 HG21 HD21 ' A' ' 73' ' ' LEU . 3.7 m -134.64 95.14 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.69 -86.8 0.16 Allowed Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 p -131.47 25.95 4.78 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.269 -1.136 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.648 ' HB ' HG23 ' A' ' 46' ' ' VAL . 53.2 mt -124.89 150.29 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 120.915 -1.116 . . . . 0.0 109.685 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.766 ' O ' HG23 ' A' ' 51' ' ' THR . 17.1 t 71.33 179.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.891 -0.506 . . . . 0.0 109.646 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 50' ' ' VAL . 2.6 p -169.65 -77.65 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.581 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -151.94 171.44 17.8 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.187 -0.946 . . . . 0.0 110.943 179.619 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.57 107.46 0.33 Allowed Glycine 0 N--CA 1.5 2.935 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 2.5 mp0 -74.26 69.62 1.59 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.273 -1.133 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.8 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.928 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.627 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.995 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -69.26 -53.04 21.8 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.401 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -64.29 -42.44 96.4 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.948 -0.47 . . . . 0.0 110.355 179.267 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.437 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -56.03 -44.59 78.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.127 -0.983 . . . . 0.0 108.489 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.708 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -70.73 -43.77 68.23 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 64' ' ' ARG . 20.3 mt-10 -48.56 -51.81 25.86 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.545 -0.722 . . . . 0.0 109.295 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -63.56 -51.39 65.61 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.319 -0.863 . . . . 0.0 109.031 179.002 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.656 ' CE ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -48.74 -41.94 33.77 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.265 -0.897 . . . . 0.0 110.185 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.837 HD21 HG22 ' A' ' 13' ' ' VAL . 31.0 mt -67.98 -54.93 14.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.203 -0.936 . . . . 0.0 110.305 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 68' ' ' LYS . 35.1 m -57.6 -34.06 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.842 -1.161 . . . . 0.0 109.537 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 68' ' ' LYS . 1.6 mt-10 -71.98 -51.79 20.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.044 -1.035 . . . . 0.0 108.795 178.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.746 HD21 HG21 ' A' ' 46' ' ' VAL . 41.9 mt -64.01 -22.91 67.13 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 109.918 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -86.68 -17.11 34.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.87 -1.144 . . . . 0.0 109.695 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -103.17 -16.41 15.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.407 -0.808 . . . . 0.0 109.758 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.916 -179.48 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.698 ' O ' HG23 ' A' ' 13' ' ' VAL . 34.0 Cg_endo . . . . . 0 CA--C 1.536 0.611 0 N-CA-C 110.32 -0.685 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.77 -42.2 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.014 -1.053 . . . . 0.0 109.174 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -62.02 1.93 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.308 -0.87 . . . . 0.0 109.689 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.434 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 22.8 mt-30 -53.56 -41.98 67.07 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.406 -0.809 . . . . 0.0 110.116 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.86 HG22 HD21 ' A' ' 70' ' ' LEU . 74.0 t -58.33 -41.11 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 120.872 -1.143 . . . . 0.0 108.201 178.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -69.39 -41.66 76.18 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.451 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 3.4 mt-10 -56.86 -43.32 81.08 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.711 -0.618 . . . . 0.0 109.948 179.055 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.4 pp -83.43 -28.86 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.925 -1.109 . . . . 0.0 110.161 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.531 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -72.97 -55.53 6.33 Favored Glycine 0 N--CA 1.499 2.885 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 18' ' ' ILE . 47.6 mm -76.32 63.8 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 CA-C-O 122.252 1.025 . . . . 0.0 108.331 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -171.4 -49.57 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -0.904 . . . . 0.0 109.113 -179.075 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.09 34.22 2.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.302 -0.874 . . . . 0.0 109.672 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t30 50.72 49.13 21.56 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.273 -0.892 . . . . 0.0 110.182 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.568 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 11.7 mtp -116.69 115.9 26.52 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.03 -1.044 . . . . 0.0 110.05 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.499 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -75.12 95.35 3.07 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.246 -0.909 . . . . 0.0 109.836 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.714 HG11 HG12 ' A' ' 13' ' ' VAL . 94.5 t -82.93 107.65 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.313 -0.867 . . . . 0.0 109.749 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.585 ' HB2' HG22 ' A' ' 45' ' ' ILE . 8.2 m-70 -130.24 108.99 10.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.99 -1.069 . . . . 0.0 109.791 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.433 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 75.2 m-85 -79.75 161.96 25.42 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.144 -0.973 . . . . 0.0 110.129 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -159.5 149.41 18.69 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.198 -0.939 . . . . 0.0 110.176 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -114.8 128.35 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.018 -1.051 . . . . 0.0 108.593 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 43' ' ' ALA . 6.8 mt -78.82 -58.9 3.01 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.137 -0.977 . . . . 0.0 109.571 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.093 0 O-C-N 121.408 -0.808 . . . . 0.0 110.421 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 N--CA 1.5 2.044 0 CA-C-O 121.52 0.676 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 41' ' ' ILE . 1.2 tp -88.43 122.05 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.155 -0.966 . . . . 0.0 109.771 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 60.9 m -113.66 123.73 50.62 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.162 -0.961 . . . . 0.0 110.316 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -96.33 118.41 32.82 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.154 -0.966 . . . . 0.0 109.672 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.688 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 39.6 m -103.01 137.4 41.25 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.994 -1.066 . . . . 0.0 110.458 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.703 HG13 HG22 ' A' ' 50' ' ' VAL . 10.8 tt -123.36 138.44 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.299 -0.875 . . . . 0.0 108.942 178.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.568 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 87.9 t -136.8 101.66 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.377 -0.827 . . . . 0.0 109.59 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.499 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 67.44 -99.67 0.54 Allowed Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.7 p -119.54 26.68 9.23 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.378 -1.072 . . . . 0.0 110.454 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.7 mp -133.67 147.62 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.937 -1.102 . . . . 0.0 109.992 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.703 HG22 HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -134.31 143.95 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.202 -0.936 . . . . 0.0 109.35 179.284 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.676 ' HB ' ' HG2' ' A' ' 69' ' ' MET . 73.5 m -145.42 130.71 18.57 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.556 -0.715 . . . . 0.0 109.661 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 2.1 mp0 -88.54 144.65 26.2 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.284 -0.885 . . . . 0.0 110.695 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.662 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -127.56 104.96 0.71 Allowed Glycine 0 N--CA 1.497 2.714 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -78.16 86.37 4.3 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.393 -1.063 . . . . 0.0 110.877 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.322 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 178.935 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.6 mttt . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -65.71 -71.55 0.19 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -41.92 -38.51 1.59 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.41 -0.806 . . . . 0.0 110.801 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.688 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -72.0 -46.19 58.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.373 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.46 -48.49 69.76 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.29 -0.881 . . . . 0.0 109.384 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.08 -48.03 61.71 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.633 -0.667 . . . . 0.0 109.46 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.536 ' HB3' HG21 ' A' ' 51' ' ' THR . 1.1 mmmt -57.18 -52.62 64.58 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.404 -0.81 . . . . 0.0 108.92 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.676 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -56.11 -50.32 71.39 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.472 -0.767 . . . . 0.0 109.897 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.86 HD21 HG22 ' A' ' 13' ' ' VAL . 65.7 mt -57.35 -52.55 64.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.387 -0.821 . . . . 0.0 109.243 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.4 t -55.74 -42.86 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.55 -0.719 . . . . 0.0 109.514 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.479 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -59.13 -62.43 1.89 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.388 -0.82 . . . . 0.0 111.066 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.13 -33.77 70.41 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.815 -1.178 . . . . 0.0 111.527 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 30.0 mt-30 -71.91 -16.53 62.12 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.587 -1.321 . . . . 0.0 109.623 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -93.05 -57.62 2.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.274 -0.891 . . . . 0.0 109.235 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 76' ' ' LEU . 5.0 mt . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 119.345 -0.36 . . . . 0.0 111.195 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.632 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 32.3 Cg_endo . . . . . 0 CA--C 1.544 0.99 0 CA-C-O 120.762 0.234 . . . . 0.0 112.36 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -115.55 -67.68 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.634 -1.291 . . . . 0.0 109.407 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 p -63.87 -73.73 0.11 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.96 -1.087 . . . . 0.0 110.127 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.76 -43.98 6.41 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.547 -0.721 . . . . 0.0 110.977 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.815 HG22 ' HG ' ' A' ' 70' ' ' LEU . 90.1 t -59.68 -52.34 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.935 -1.103 . . . . 0.0 108.955 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.439 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 12.8 m-70 -59.8 -39.47 85.08 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.93 -51.91 67.7 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.6 mt -58.95 -40.2 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.827 . . . . 0.0 108.857 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.899 ' HA3' HG12 ' A' ' 24' ' ' VAL . . . -55.26 -45.36 83.13 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 108.589 -1.805 . . . . 0.0 108.589 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 18' ' ' ILE . 41.9 mm -94.47 49.31 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-O 122.112 0.958 . . . . 0.0 108.502 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -153.94 -58.33 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.84 -1.162 . . . . 0.0 109.511 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.64 32.51 1.22 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.204 -0.935 . . . . 0.0 109.462 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 50.26 38.05 16.55 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.471 -0.768 . . . . 0.0 110.046 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.2 mtt -93.54 -26.68 17.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.281 -0.887 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.817 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER 50.17 56.7 7.52 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.144 -0.973 . . . . 0.0 109.585 -179.779 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.899 HG12 ' HA3' ' A' ' 17' ' ' GLY . 13.7 p -70.13 116.1 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.364 -0.835 . . . . 0.0 110.694 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.817 ' NE2' HG22 ' A' ' 23' ' ' THR . 94.4 m-70 -122.45 119.18 30.22 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.236 -0.915 . . . . 0.0 109.504 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 66' ' ' ALA . 71.7 m-85 -98.55 125.37 43.77 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.287 -0.883 . . . . 0.0 110.201 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -148.21 155.86 41.87 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -0.931 . . . . 0.0 110.256 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.6 p -98.18 157.18 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.178 -0.951 . . . . 0.0 109.479 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.617 HD21 ' CB ' ' A' ' 43' ' ' ALA . 7.1 mt -102.9 -62.38 1.28 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.152 -0.968 . . . . 0.0 109.377 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 . . . . . 0 N--CA 1.504 2.228 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.832 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.06 0.457 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.483 ' CG2' ' HA2' ' A' ' 53' ' ' GLY . 22.6 mm -126.44 123.23 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.449 -0.782 . . . . 0.0 109.24 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -95.06 159.03 15.21 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.22 -0.925 . . . . 0.0 110.007 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.666 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . . . -133.8 136.01 44.22 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.999 -1.063 . . . . 0.0 109.767 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 34.2 t -131.19 145.05 51.79 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.995 -1.066 . . . . 0.0 110.378 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.653 ' HB ' ' HB2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -98.39 126.88 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.321 -0.862 . . . . 0.0 109.107 179.433 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.725 HG21 HD22 ' A' ' 73' ' ' LEU . 14.1 p -123.59 112.77 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.486 -0.759 . . . . 0.0 109.493 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -7.21 75.39 0.0 OUTLIER Glycine 1 N--CA 1.517 4.082 0 C-N-CA 123.432 0.539 . . . . 0.0 112.973 -179.352 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 m 157.08 -63.51 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 O-C-N 122.034 -0.686 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.443 HG13 ' C ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -153.3 -169.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.366 -0.834 . . . . 0.0 109.375 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.553 HG22 ' CD1' ' A' ' 45' ' ' ILE . 10.7 t -99.96 150.97 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.028 -1.045 . . . . 0.0 109.415 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.614 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -166.95 140.51 3.73 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.342 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.698 ' CG ' ' HB1' ' A' ' 65' ' ' ALA . 5.9 tp10 171.23 -128.03 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.902 -0.499 . . . . 0.0 110.088 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 41' ' ' ILE . . . 116.95 -139.85 15.45 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' HG3' ' HD3' ' A' ' 68' ' ' LYS . 6.2 mm-40 56.66 173.56 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.878 0.847 . . . . 0.0 111.188 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.92 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -179.682 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.3 tttt . . . . . 0 N--CA 1.501 2.095 0 CA-C-O 121.028 0.442 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HE3' ' OE1' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -72.44 -78.23 0.09 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.387 -0.82 . . . . 0.0 109.451 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -39.25 -41.57 0.89 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.505 -0.747 . . . . 0.0 111.051 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.698 ' HB1' ' CG ' ' A' ' 52' ' ' GLU . . . -59.75 -66.34 0.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.387 -0.821 . . . . 0.0 108.988 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.417 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -51.24 -45.26 61.93 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.166 -0.959 . . . . 0.0 110.023 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -52.33 -53.12 48.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.434 -0.791 . . . . 0.0 109.376 179.289 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' HG12 ' A' ' 71' ' ' VAL . 2.5 tttt -67.08 -50.48 61.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.48 -0.763 . . . . 0.0 110.402 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.658 ' HE2' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -52.62 -54.69 29.68 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.285 -0.884 . . . . 0.0 110.536 -179.254 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.815 ' HG ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -72.11 -41.17 67.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.909 -1.119 . . . . 0.0 111.584 -178.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -52.94 -29.57 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 120.415 -1.428 . . . . 0.0 109.375 179.648 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.84 -50.84 5.52 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.18 -0.95 . . . . 0.0 109.401 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.725 HD22 HG21 ' A' ' 46' ' ' VAL . 37.7 mt -65.7 -17.22 64.45 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.277 -0.889 . . . . 0.0 111.704 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.428 ' HG3' HD13 ' A' ' 70' ' ' LEU . 34.1 mt-30 -76.91 10.02 2.54 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.626 -1.296 . . . . 0.0 110.37 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -118.35 -43.9 2.7 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.075 -1.016 . . . . 0.0 110.879 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.949 -178.965 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.615 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 36.0 Cg_endo . . . . . 0 CA--C 1.543 0.965 0 CA-C-O 121.263 0.443 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mm -136.6 -69.23 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.948 -1.095 . . . . 0.0 109.745 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.01 -61.37 2.36 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.223 -0.923 . . . . 0.0 109.875 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -52.49 -33.89 46.8 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.78 -0.575 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.944 ' HA ' HD21 ' A' ' 70' ' ' LEU . 44.8 t -63.1 -47.25 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.843 -1.16 . . . . 0.0 108.388 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -67.0 -38.52 86.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.88 -46.04 91.14 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.355 -0.841 . . . . 0.0 109.211 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.558 HD13 HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -60.43 -48.43 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.31 -0.869 . . . . 0.0 108.82 179.189 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.99 72.52 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.71 -41.73 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.326 -1.102 . . . . 0.0 109.101 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.89 -45.85 15.54 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.672 -0.643 . . . . 0.0 110.586 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -106.73 18.59 21.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.11 -0.994 . . . . 0.0 110.276 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.24 51.84 5.3 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.887 0.851 . . . . 0.0 109.389 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.553 ' HG2' ' HA3' ' A' ' 47' ' ' GLY . 27.7 mtt -124.64 119.36 28.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.37 -0.832 . . . . 0.0 110.066 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -67.66 135.4 52.76 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.201 -0.937 . . . . 0.0 109.8 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.792 HG11 HG12 ' A' ' 13' ' ' VAL . 58.8 t -108.37 111.38 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.507 -0.746 . . . . 0.0 109.684 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.54 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 11.3 m-70 -132.25 112.86 12.6 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.918 -1.114 . . . . 0.0 110.448 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 44' ' ' CYS . 89.3 m-85 -85.47 173.13 10.47 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.137 -0.977 . . . . 0.0 110.663 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 178.53 145.12 0.13 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.652 -0.655 . . . . 0.0 109.458 179.752 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.581 ' C ' ' HG ' ' A' ' 29' ' ' LEU . 59.2 t -89.41 -2.77 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 O-C-N 120.746 -1.221 . . . . 0.0 110.812 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 43' ' ' ALA . 5.5 mt 73.7 -37.9 0.39 Allowed 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.344 -0.848 . . . . 0.0 110.433 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.544 -0.722 . . . . 0.0 110.269 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 8.2 m-30 . . . . . 0 N--CA 1.51 2.565 0 CA-C-O 121.817 0.817 . . . . 0.0 112.154 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.661 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -46.75 123.51 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 121.709 -0.619 . . . . 0.0 111.171 -178.094 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.56 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 0.2 OUTLIER -115.31 130.71 56.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.043 -1.036 . . . . 0.0 109.082 178.466 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.784 ' HB3' HD21 ' A' ' 29' ' ' LEU . . . -121.71 139.34 53.7 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.022 -1.049 . . . . 0.0 109.747 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 52.5 t -121.37 149.14 43.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.957 . . . . 0.0 109.3 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.883 HG13 HG22 ' A' ' 50' ' ' VAL . 11.7 tt -122.56 125.58 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 24' ' ' VAL . 96.1 t -134.17 95.16 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.483 -0.76 . . . . 0.0 109.722 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.553 ' HA3' ' HG2' ' A' ' 22' ' ' MET . . . 67.77 -84.19 0.16 Allowed Glycine 0 N--CA 1.501 2.996 0 O-C-N 121.187 -0.946 . . . . 0.0 110.875 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -123.03 -18.69 6.31 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.303 -1.116 . . . . 0.0 111.265 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.0 pt -92.75 131.72 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.787 -1.195 . . . . 0.0 109.693 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.94 HG12 ' H ' ' A' ' 51' ' ' THR . 3.3 t -131.89 -179.06 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.926 -1.109 . . . . 0.0 110.761 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.94 ' H ' HG12 ' A' ' 50' ' ' VAL . 9.4 m 82.26 161.95 0.14 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -177.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.838 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -145.38 -76.89 0.21 Allowed 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 117.638 -1.625 . . . . 0.0 110.961 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.52 161.81 22.75 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.661 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 11.1 mp0 -69.73 107.75 3.61 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.262 -1.14 . . . . 0.0 111.013 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.551 ' HA2' ' HD2' ' A' ' 64' ' ' ARG . . . . . . . . 0 N--CA 1.494 2.532 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.5 tttt . . . . . 0 N--CA 1.509 2.51 0 CA-C-O 122.104 0.954 . . . . 0.0 108.635 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.84 -68.07 0.19 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.551 ' HD2' ' HA2' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -48.97 -45.73 42.53 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.404 0.621 . . . . 0.0 110.004 177.166 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.838 ' HB1' ' HG3' ' A' ' 52' ' ' GLU . . . -58.17 -50.1 74.71 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.757 0.789 . . . . 0.0 109.864 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . . . -59.17 -46.17 89.11 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -0.981 . . . . 0.0 110.649 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' OE1' ' HG3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -55.17 -47.13 75.61 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.142 -0.974 . . . . 0.0 109.645 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 72' ' ' GLU . 2.7 ttpm? -62.45 -49.12 76.67 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.51 -0.744 . . . . 0.0 109.545 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -40.97 91.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.098 -1.001 . . . . 0.0 109.51 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' A' ' 13' ' ' VAL . 9.1 mt -65.45 -55.43 18.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.206 -0.934 . . . . 0.0 109.877 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 68' ' ' LYS . 9.9 p -58.05 -34.61 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.316 -0.865 . . . . 0.0 109.642 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -69.02 -55.4 10.94 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.079 -1.013 . . . . 0.0 109.535 178.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 73' ' ' LEU . 77.8 mt -61.54 -30.68 70.8 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.147 -0.97 . . . . 0.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -85.91 -11.45 53.17 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.931 -1.106 . . . . 0.0 110.565 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.505 ' O ' ' HE2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -112.72 -21.97 10.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.066 -1.022 . . . . 0.0 110.522 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 117.473 -1.251 . . . . 0.0 110.987 179.716 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HG2' ' HB3' ' A' ' 66' ' ' ALA . 34.8 Cg_endo . . . . . 0 N--CA 1.482 0.797 0 CA-C-O 121.561 0.567 . . . . 0.0 111.51 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.01 -53.09 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.108 -0.995 . . . . 0.0 109.468 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -48.3 -63.49 1.06 Allowed 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.32 -0.862 . . . . 0.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' O ' HG12 ' A' ' 16' ' ' ILE . 11.8 mt-30 -50.6 -40.36 52.47 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.266 -0.896 . . . . 0.0 110.478 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.556 HG22 HD21 ' A' ' 70' ' ' LEU . 98.2 t -59.53 -44.3 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.875 -1.14 . . . . 0.0 108.16 178.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.447 ' O ' HD12 ' A' ' 18' ' ' ILE . 29.0 m80 -66.21 -43.85 85.53 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -56.89 -44.34 82.22 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.53 -0.731 . . . . 0.0 109.107 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 12' ' ' GLN . 36.8 mm -70.23 -40.39 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.049 -1.032 . . . . 0.0 109.038 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.524 ' HA3' HG23 ' A' ' 24' ' ' VAL . . . -59.25 -50.49 67.22 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 18' ' ' ILE . 4.7 mt -80.43 52.53 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.424 -1.045 . . . . 0.0 108.623 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -155.81 -54.65 0.09 Allowed 'General case' 0 C--N 1.295 -1.761 0 O-C-N 120.995 -1.066 . . . . 0.0 108.696 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -93.51 29.63 1.94 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.497 -0.752 . . . . 0.0 109.196 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 t30 53.9 52.38 13.07 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.351 -0.843 . . . . 0.0 110.147 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.65 ' HB3' HG22 ' A' ' 46' ' ' VAL . 45.2 mtm -126.59 112.14 15.16 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.981 -1.074 . . . . 0.0 110.538 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -66.25 119.8 12.14 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.11 -0.994 . . . . 0.0 109.226 179.023 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.524 HG23 ' HA3' ' A' ' 17' ' ' GLY . 70.6 t -99.49 110.83 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.413 -0.804 . . . . 0.0 109.969 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.683 ' HB2' HG22 ' A' ' 45' ' ' ILE . 9.9 m-70 -131.71 127.03 35.99 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.987 -1.07 . . . . 0.0 109.965 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -93.86 144.18 25.67 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.24 -0.912 . . . . 0.0 109.671 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -150.89 128.6 11.57 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.163 -0.96 . . . . 0.0 110.481 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.2 t -87.24 138.59 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.943 -1.098 . . . . 0.0 108.81 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 43' ' ' ALA . 8.3 mt -74.69 -55.55 5.75 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.171 -0.956 . . . . 0.0 109.8 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.499 2.013 0 O-C-N 121.342 -0.849 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.572 0.701 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.494 HG23 ' HG2' ' A' ' 54' ' ' GLU . 1.4 mp -82.32 108.3 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.232 -0.917 . . . . 0.0 109.66 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -116.37 130.91 57.02 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.892 -1.13 . . . . 0.0 109.357 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -109.64 155.63 21.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.929 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 5.6 t -133.79 139.63 46.42 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -0.998 . . . . 0.0 109.843 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.683 HG22 ' HB2' ' A' ' 25' ' ' HIS . 16.9 tt -110.55 133.05 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.65 HG22 ' HB3' ' A' ' 22' ' ' MET . 9.8 p -131.91 109.7 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 CA-C-O 121.841 0.829 . . . . 0.0 109.45 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.27 -106.28 0.89 Allowed Glycine 0 N--CA 1.501 2.995 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.52 23.4 12.4 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.314 -1.11 . . . . 0.0 110.331 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.8 151.51 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.026 -1.046 . . . . 0.0 109.809 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.406 HG22 HG13 ' A' ' 45' ' ' ILE . 1.6 t -128.18 149.59 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.036 -1.04 . . . . 0.0 109.322 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.7 p -141.97 126.87 18.24 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.141 -0.974 . . . . 0.0 110.353 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 14.2 mt-10 -94.38 149.17 21.5 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.274 -0.891 . . . . 0.0 110.388 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.64 108.66 0.65 Allowed Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.494 ' HG2' HG23 ' A' ' 41' ' ' ILE . 5.5 mt-10 -81.17 79.57 7.8 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.406 -1.056 . . . . 0.0 110.173 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.003 0 O-C-N 120.809 -1.182 . . . . 0.0 110.721 -179.884 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -64.98 0.74 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.36 -0.838 . . . . 0.0 109.44 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -35.81 73.7 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.427 -0.796 . . . . 0.0 110.53 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.37 -49.05 75.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.983 -1.073 . . . . 0.0 108.79 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.409 ' HB3' ' HG2' ' A' ' 9' ' ' PRO . . . -68.0 -39.94 83.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.564 -0.71 . . . . 0.0 109.241 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -50.3 -56.01 13.04 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.522 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.17 -49.67 76.97 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.084 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.446 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 9.2 ttm -50.52 -49.44 55.75 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.214 -0.929 . . . . 0.0 110.218 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.556 HD21 HG22 ' A' ' 13' ' ' VAL . 43.9 mt -70.74 -43.04 69.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.886 -1.134 . . . . 0.0 110.345 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.53 -38.6 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.061 -1.025 . . . . 0.0 109.807 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.522 ' HG3' ' HG3' ' A' ' 68' ' ' LYS . 3.3 mm-40 -80.63 -40.55 25.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.079 -1.013 . . . . 0.0 109.203 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 46' ' ' VAL . 14.9 mt -62.19 -36.02 80.63 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.425 -0.797 . . . . 0.0 109.86 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -71.46 -0.3 10.06 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.196 -0.94 . . . . 0.0 110.17 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 72' ' ' GLU . 1.1 mtmp? -95.95 -16.74 21.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.145 -0.972 . . . . 0.0 109.628 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 N--CA 1.485 1.324 0 O-C-N 121.463 -0.773 . . . . 0.0 110.079 -178.985 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 37.5 Cg_endo . . . . . 0 CA--C 1.545 1.049 0 CA-C-O 121.217 0.424 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.65 -56.92 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.367 0 O-C-N 121.262 -0.899 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.42 -48.29 37.3 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.005 -1.059 . . . . 0.0 110.805 -179.528 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.429 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 26.4 mt-30 -56.14 -43.78 78.57 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.964 -1.085 . . . . 0.0 109.512 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.779 HG22 HD11 ' A' ' 70' ' ' LEU . 48.1 t -62.14 -41.0 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.153 -0.967 . . . . 0.0 109.005 178.649 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.646 ' HA ' HG11 ' A' ' 24' ' ' VAL . 13.3 m-70 -64.12 -45.88 86.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.287 -0.883 . . . . 0.0 108.941 179.048 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 5.8 mm-40 -63.64 -48.8 75.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.704 -0.622 . . . . 0.0 110.368 179.689 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.509 HG12 ' HA ' ' A' ' 13' ' ' VAL . 46.2 pt -60.7 -33.13 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.656 -1.277 . . . . 0.0 109.507 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.416 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -71.17 -56.64 6.79 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 108.461 -1.856 . . . . 0.0 108.461 178.537 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -40.14 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -1.166 . . . . 0.0 109.387 178.748 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -54.68 -25.89 30.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.53 -0.731 . . . . 0.0 110.142 179.579 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -104.89 23.31 13.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 109.585 179.227 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 66.4 m-80 63.82 29.53 14.69 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.293 -0.88 . . . . 0.0 110.021 -179.596 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.51 ' CE ' HG22 ' A' ' 46' ' ' VAL . 24.8 mtp -107.73 131.23 54.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.087 -1.008 . . . . 0.0 110.063 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.432 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 5.1 p -72.54 119.01 16.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.232 -0.917 . . . . 0.0 109.881 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.74 HG22 HG23 ' A' ' 46' ' ' VAL . 12.5 t -115.7 106.63 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.39 -0.819 . . . . 0.0 109.595 179.733 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.67 ' HB2' HG22 ' A' ' 45' ' ' ILE . 52.9 m-70 -120.93 131.8 54.57 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.194 -0.941 . . . . 0.0 109.698 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 44' ' ' CYS . 3.3 m-85 -121.92 108.97 14.06 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.479 -0.763 . . . . 0.0 110.047 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.3 mmtt -150.59 172.19 15.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.92 -1.112 . . . . 0.0 109.942 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.86 131.46 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.724 -1.235 . . . . 0.0 109.688 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.077 HD23 ' HB2' ' A' ' 43' ' ' ALA . 1.2 pp -85.82 -21.36 28.15 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.603 -0.685 . . . . 0.0 110.687 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.497 1.924 0 O-C-N 120.982 -1.074 . . . . 0.0 109.995 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.559 0.695 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 41' ' ' ILE . 5.3 mp -116.6 105.75 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.365 -0.835 . . . . 0.0 109.438 179.802 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.524 ' O ' ' HA3' ' A' ' 53' ' ' GLY . 63.0 m -85.53 121.93 28.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.375 -0.828 . . . . 0.0 109.235 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 1.077 ' HB2' HD23 ' A' ' 29' ' ' LEU . . . -86.81 112.5 21.77 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.876 -1.14 . . . . 0.0 108.797 179.34 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.581 ' HB2' ' HE3' ' A' ' 69' ' ' MET . 25.9 m -117.19 131.23 56.91 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.775 -1.203 . . . . 0.0 109.175 -179.617 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.67 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.8 tt -119.43 124.58 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.864 -1.148 . . . . 0.0 109.494 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.74 HG23 HG22 ' A' ' 24' ' ' VAL . 12.7 p -147.98 66.45 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 CA-C-O 121.965 0.888 . . . . 0.0 109.759 -179.299 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.4 -82.23 0.01 OUTLIER Glycine 0 N--CA 1.505 3.295 0 O-C-N 121.174 -0.954 . . . . 0.0 111.943 179.068 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.531 ' HB3' HD21 ' A' ' 73' ' ' LEU . 8.0 t -76.46 -22.89 54.0 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.311 -1.111 . . . . 0.0 111.591 -178.494 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.735 HG21 ' HG2' ' A' ' 69' ' ' MET . 39.5 mm -119.49 148.73 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 O-C-N 120.621 -1.3 . . . . 0.0 110.982 -179.169 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.067 HG12 HG22 ' A' ' 51' ' ' THR . 55.3 t -137.83 160.79 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.547 -0.721 . . . . 0.0 109.322 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' THR . . . . . 1.067 HG22 HG12 ' A' ' 50' ' ' VAL . 1.8 t 21.09 -108.07 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.851 178.61 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.637 ' H ' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER 40.2 22.43 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.563 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.524 ' HA3' ' O ' ' A' ' 42' ' ' THR . . . -93.76 120.13 6.2 Favored Glycine 0 N--CA 1.491 2.308 0 C-N-CA 119.601 -1.285 . . . . 0.0 110.326 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 -136.86 0.11 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.331 -1.099 . . . . 0.0 108.787 179.495 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.725 0 O-C-N 120.995 -1.066 . . . . 0.0 111.199 179.436 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.494 ' HA ' HG21 ' A' ' 42' ' ' THR . 15.8 mtmt . . . . . 0 N--CA 1.501 2.086 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -63.43 -67.65 0.41 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.636 -0.665 . . . . 0.0 109.653 179.142 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.51 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -47.89 -47.5 31.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.676 -0.64 . . . . 0.0 110.247 179.707 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.505 ' CB ' ' CA ' ' A' ' 53' ' ' GLY . . . -58.95 -44.3 91.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.335 -0.853 . . . . 0.0 109.059 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.436 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . . . -64.29 -37.02 86.0 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.213 -0.929 . . . . 0.0 109.857 179.403 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.555 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.9 mt-10 -53.86 -44.8 70.68 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.801 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -58.45 -47.16 84.93 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.396 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.735 ' HG2' HG21 ' A' ' 49' ' ' ILE . 9.0 mtt -58.99 -55.19 38.33 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.527 -0.733 . . . . 0.0 110.562 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.779 HD11 HG22 ' A' ' 13' ' ' VAL . 25.8 mt -61.02 -46.42 90.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.129 -0.982 . . . . 0.0 110.888 -179.299 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 67' ' ' GLU . 75.5 t -52.62 -47.9 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.117 -0.989 . . . . 0.0 110.461 -179.401 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -77.46 -48.38 17.27 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.409 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 48' ' ' SER . 97.4 mt -58.42 -32.18 68.42 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.109 -0.994 . . . . 0.0 111.01 -179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -85.35 7.03 23.91 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.87 -1.144 . . . . 0.0 109.845 179.228 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.94 1.06 8.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.23 -0.919 . . . . 0.0 110.855 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 117.847 -1.073 . . . . 0.0 109.983 -179.808 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.642 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.9 Cg_endo . . . . . 0 CA--C 1.534 0.503 0 N-CA-C 109.914 -0.841 . . . . 0.0 109.914 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' A' ' 62' ' ' LYS . 10.0 mt -57.65 -47.35 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.411 -0.805 . . . . 0.0 109.801 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 p -61.41 -52.73 63.38 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.946 -1.096 . . . . 0.0 109.326 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -57.84 -42.95 85.44 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.135 -0.978 . . . . 0.0 109.203 179.275 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.827 ' HA ' HD21 ' A' ' 70' ' ' LEU . 98.4 t -63.29 -42.42 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.881 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -58.08 -41.72 84.06 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -59.82 -57.89 10.94 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.7 mm -46.43 -43.4 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.331 -0.856 . . . . 0.0 110.195 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 -51.45 10.28 Favored Glycine 0 N--CA 1.498 2.799 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.35 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 18' ' ' ILE . 32.8 mm -79.39 50.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 122.134 0.968 . . . . 0.0 109.481 179.264 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -148.87 -45.11 0.15 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.563 -1.336 . . . . 0.0 109.562 179.599 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 32.6 mtm180 -93.28 -72.2 0.62 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 178.674 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER 173.27 55.53 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.633 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.561 ' HB3' HG12 ' A' ' 46' ' ' VAL . 22.5 mtt -143.4 130.35 20.55 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.845 -1.159 . . . . 0.0 110.95 -179.113 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -74.98 153.96 38.3 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.312 -0.867 . . . . 0.0 109.315 179.136 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.4 t -128.21 106.71 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.217 -0.927 . . . . 0.0 109.376 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.844 ' HB2' HG22 ' A' ' 45' ' ' ILE . 70.6 m-70 -116.63 121.24 41.13 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.071 -1.018 . . . . 0.0 110.104 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 10.4 m-85 -114.12 134.88 54.59 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.401 -0.812 . . . . 0.0 109.262 179.42 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -154.93 132.77 11.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.99 -1.069 . . . . 0.0 110.703 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.651 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 74.1 t -79.45 146.38 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.128 -0.982 . . . . 0.0 109.067 179.027 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.54 HD12 HG12 ' A' ' 41' ' ' ILE . 7.5 mt -91.43 -59.07 2.24 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.298 -0.876 . . . . 0.0 109.501 -179.772 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 41' ' ' ILE . 5.4 ttt180 . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 121.415 0.626 . . . . 0.0 110.474 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 55' ' ' GLY . 1.5 m-85 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.354 0.597 . . . . 0.0 109.657 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 41' ' ' ILE . 3.7 tp -153.3 108.8 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.061 -1.025 . . . . 0.0 109.578 179.544 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.651 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 90.8 m -110.09 121.05 44.35 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.058 -1.026 . . . . 0.0 109.682 -179.414 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -93.87 152.12 19.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.263 -0.898 . . . . 0.0 109.483 179.568 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.562 ' HB2' ' HE3' ' A' ' 69' ' ' MET . 25.0 p -144.51 143.3 30.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.979 . . . . 0.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.844 HG22 ' HB2' ' A' ' 25' ' ' HIS . 7.7 tt -126.35 142.09 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.074 -1.016 . . . . 0.0 111.03 -179.336 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.71 HG22 ' HE1' ' A' ' 69' ' ' MET . 1.7 t -105.97 171.28 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.628 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -37.07 -46.36 1.25 Allowed Glycine 0 N--CA 1.508 3.484 0 O-C-N 121.313 -0.867 . . . . 0.0 111.262 179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.9 p -141.99 38.37 1.61 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.083 -1.245 . . . . 0.0 110.294 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 24.4 mm -148.22 154.88 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.162 -0.961 . . . . 0.0 109.657 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.676 HG13 HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -129.98 140.01 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.834 -1.166 . . . . 0.0 109.127 179.029 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.505 ' HB ' ' SG ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -146.34 163.68 34.8 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.236 -0.915 . . . . 0.0 109.967 -179.804 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -126.88 170.01 12.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.08 -1.013 . . . . 0.0 109.814 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.485 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -155.24 113.68 0.58 Allowed Glycine 0 N--CA 1.498 2.776 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -179.687 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.836 -0.802 . . . . 0.0 110.967 -179.752 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.529 ' O ' ' HB2' ' A' ' 40' ' ' PHE . . . . . . . . 0 N--CA 1.496 2.69 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -178.848 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HB3' HD11 ' A' ' 10' ' ' ILE . 2.9 mttp . . . . . 0 N--CA 1.5 2.071 0 CA-C-O 120.608 0.242 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -60.38 1.53 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.848 -1.158 . . . . 0.0 109.232 178.928 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -56.55 -45.76 81.06 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.531 -0.73 . . . . 0.0 110.202 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.485 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -59.49 -47.33 85.93 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.299 -0.876 . . . . 0.0 109.45 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.693 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -66.98 -37.98 85.22 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.495 -0.753 . . . . 0.0 110.223 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -53.73 -50.95 64.84 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.269 -0.894 . . . . 0.0 110.222 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' HG22 ' A' ' 71' ' ' VAL . 4.8 tttp -65.34 -41.24 94.11 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.148 -0.97 . . . . 0.0 109.867 179.528 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.71 ' HE1' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -63.73 -43.34 96.81 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.736 -1.228 . . . . 0.0 110.086 179.687 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.827 HD21 ' HA ' ' A' ' 13' ' ' VAL . 15.0 mt -60.5 -48.2 82.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.985 -1.072 . . . . 0.0 110.493 -179.681 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 68' ' ' LYS . 27.1 m -60.55 -28.36 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.893 -1.129 . . . . 0.0 109.395 179.309 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -59.69 2.68 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.571 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.643 HD11 HG21 ' A' ' 46' ' ' VAL . 10.9 mp -54.64 -24.01 19.71 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.642 -0.661 . . . . 0.0 110.61 179.174 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -35.35 64.05 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.963 -1.086 . . . . 0.0 109.807 179.538 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -109.99 -31.06 7.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.131 -0.981 . . . . 0.0 110.583 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.723 -179.885 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.434 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.7 Cg_endo . . . . . 0 CA--C 1.538 0.702 0 N-CA-C 110.518 -0.608 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -49.91 -52.17 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.308 -0.87 . . . . 0.0 109.962 179.723 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -62.32 1.86 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.381 -0.824 . . . . 0.0 109.448 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.421 ' O ' HG12 ' A' ' 16' ' ' ILE . 5.1 mt-30 -51.93 -38.58 56.88 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.53 -0.731 . . . . 0.0 110.321 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.705 HG22 HD21 ' A' ' 70' ' ' LEU . 39.1 t -60.52 -48.95 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 120.871 -1.143 . . . . 0.0 108.559 178.851 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.588 ' HA ' HG11 ' A' ' 24' ' ' VAL . 14.4 m-70 -64.11 -38.21 90.25 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.387 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 19.4 mt-10 -61.2 -55.48 31.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.68 -0.638 . . . . 0.0 109.795 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.445 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 48.8 pt -61.94 -34.48 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.019 -1.05 . . . . 0.0 110.571 -179.585 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.14 -49.33 72.36 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 mp -81.05 -33.98 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.394 -1.063 . . . . 0.0 110.468 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -60.6 -19.42 57.73 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.719 -1.238 . . . . 0.0 110.544 179.789 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HD3' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -115.9 -77.63 0.57 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.583 -0.698 . . . . 0.0 109.458 179.691 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 175.31 50.87 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.307 -0.871 . . . . 0.0 110.273 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.406 ' HA ' ' HA3' ' A' ' 47' ' ' GLY . 34.4 mtt -135.96 121.26 19.14 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.597 -1.314 . . . . 0.0 111.157 -179.412 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.445 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -78.21 104.48 8.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.259 -0.901 . . . . 0.0 109.093 178.959 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.588 HG11 ' HA ' ' A' ' 14' ' ' HIS . 14.8 p -97.2 119.34 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.285 -0.884 . . . . 0.0 110.081 -179.434 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.751 ' HB2' HG22 ' A' ' 45' ' ' ILE . 22.2 m-70 -131.79 121.7 24.59 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.955 -1.091 . . . . 0.0 110.11 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 44' ' ' CYS . 68.3 m-85 -105.07 86.51 2.45 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.383 -0.823 . . . . 0.0 109.924 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -97.15 157.01 16.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.319 -0.863 . . . . 0.0 111.133 -179.449 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -106.36 160.89 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.781 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 6.8 mt -107.91 -68.32 0.91 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.94 -1.1 . . . . 0.0 109.991 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 7.0 ttt-85 . . . . . 0 N--CA 1.498 1.962 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.412 ' C ' HG13 ' A' ' 41' ' ' ILE . 48.3 m-85 . . . . . 0 N--CA 1.502 2.144 0 CA-C-O 121.455 0.645 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.563 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 47.3 mt -146.97 84.27 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.296 -0.877 . . . . 0.0 109.759 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.407 HG21 ' CD ' ' A' ' 62' ' ' LYS . 1.8 m -77.25 118.89 20.19 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.879 -1.138 . . . . 0.0 109.48 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.09 136.17 39.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.012 -1.055 . . . . 0.0 109.52 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 11.0 p -124.53 131.02 53.49 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.947 -1.096 . . . . 0.0 110.496 -179.644 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.751 HG22 ' HB2' ' A' ' 25' ' ' HIS . 12.7 tt -115.81 141.99 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.36 -0.838 . . . . 0.0 109.266 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' SER . 4.8 p -132.2 157.76 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.443 -0.786 . . . . 0.0 109.177 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 22' ' ' MET . . . -64.72 67.51 0.07 OUTLIER Glycine 0 N--CA 1.508 3.447 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.331 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 46' ' ' VAL . 12.0 p 169.0 -38.0 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.873 -0.781 . . . . 0.0 109.879 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.4 -178.28 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.059 -1.025 . . . . 0.0 110.762 -179.379 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.649 HG22 HG13 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -139.61 142.87 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.323 -0.861 . . . . 0.0 109.059 179.297 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.7 m -144.35 157.03 44.47 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.617 -0.677 . . . . 0.0 109.556 179.334 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 1.6 pm0 -93.49 132.16 38.03 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.798 -1.189 . . . . 0.0 109.862 179.557 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.703 ' HA3' ' CB ' ' A' ' 65' ' ' ALA . . . -96.58 81.29 0.74 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -75.5 136.97 40.61 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.681 -0.893 . . . . 0.0 110.641 179.859 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.86 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 178.994 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.407 ' CD ' HG21 ' A' ' 42' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.499 2.009 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -60.03 -61.74 2.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.385 -0.822 . . . . 0.0 108.836 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -30.55 60.91 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.516 -0.74 . . . . 0.0 109.856 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.703 ' CB ' ' HA3' ' A' ' 53' ' ' GLY . . . -67.65 -54.15 21.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 109.34 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.493 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -65.37 -40.64 93.81 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.323 -0.861 . . . . 0.0 109.466 179.306 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 71' ' ' VAL . 37.2 mt-10 -51.75 -47.71 63.97 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.317 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HE3' ' HG3' ' A' ' 54' ' ' GLU . 28.1 mttm -58.77 -56.67 19.23 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.7 ttm -49.2 -54.06 18.32 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.463 -0.773 . . . . 0.0 110.508 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.705 HD21 HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -61.56 -47.81 83.85 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.956 -1.09 . . . . 0.0 109.824 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 67' ' ' GLU . 55.2 t -55.78 -41.45 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.071 -1.018 . . . . 0.0 109.189 178.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.47 -55.98 11.43 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.325 -0.86 . . . . 0.0 109.661 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.649 HD23 HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -62.83 -27.84 69.6 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.389 -0.82 . . . . 0.0 111.303 -179.303 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -85.79 6.21 29.02 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.715 -1.241 . . . . 0.0 110.547 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -132.26 3.19 3.95 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.065 -1.022 . . . . 0.0 111.228 -179.612 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.33 -0.856 . . . . 0.0 110.053 -179.669 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.3 Cg_endo . . . . . 0 CA--C 1.537 0.672 0 N-CA-C 110.845 -0.483 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt -49.83 -41.7 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.309 -0.87 . . . . 0.0 109.749 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -60.78 2.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.512 -0.742 . . . . 0.0 109.327 179.197 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 6.8 mt-30 -62.93 -33.74 75.99 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.437 -0.789 . . . . 0.0 109.978 179.424 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.758 HG22 HD21 ' A' ' 70' ' ' LEU . 85.1 t -57.09 -49.7 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.946 -1.096 . . . . 0.0 108.468 178.732 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -63.71 -41.17 98.14 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.233 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 47.0 mt-10 -58.08 -51.25 70.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.55 -0.719 . . . . 0.0 110.333 179.525 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 17' ' ' GLY . 38.2 pt -66.67 -38.65 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.091 -1.006 . . . . 0.0 109.665 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.409 ' N ' HG13 ' A' ' 16' ' ' ILE . . . -60.84 -52.4 52.64 Favored Glycine 0 N--CA 1.499 2.89 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 178.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.4 mt -65.67 -39.99 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.542 -0.975 . . . . 0.0 109.557 179.105 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -68.01 -34.65 76.91 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.15 -0.969 . . . . 0.0 110.392 -179.879 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.95 14.01 23.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.004 -1.06 . . . . 0.0 110.533 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 t30 56.38 40.53 29.7 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.046 -1.034 . . . . 0.0 110.0 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.1 mtt -112.17 131.46 55.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.062 -1.024 . . . . 0.0 109.957 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.25 131.53 46.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.068 -1.02 . . . . 0.0 110.163 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.41 91.11 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.425 -0.797 . . . . 0.0 108.874 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.469 ' HB2' ' HB ' ' A' ' 45' ' ' ILE . 89.6 m-70 -102.27 99.59 9.69 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.918 -1.113 . . . . 0.0 110.591 -179.019 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.408 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 4.5 m-85 -86.24 104.04 15.42 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.294 -0.879 . . . . 0.0 109.219 179.377 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -135.97 146.08 46.85 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.921 -1.112 . . . . 0.0 111.236 -179.268 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.438 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 17.3 t -102.26 162.25 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.0 -1.063 . . . . 0.0 108.801 178.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.416 HD11 ' HB ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -100.18 -73.86 0.62 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.922 -1.112 . . . . 0.0 109.459 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 . . . . . 0 N--CA 1.501 2.1 0 CA-C-O 121.433 0.635 . . . . 0.0 109.5 179.911 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.62 0.724 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.508 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 3.2 mp -73.54 117.86 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.199 -0.938 . . . . 0.0 109.635 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.779 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 90.5 m -96.4 128.77 43.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.131 -0.981 . . . . 0.0 109.084 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.55 111.75 24.45 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.113 -0.992 . . . . 0.0 110.485 -179.402 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.836 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 60.6 m -107.52 116.02 31.19 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.017 -1.052 . . . . 0.0 109.095 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.547 ' CG1' ' HB ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -84.07 126.29 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.913 -1.117 . . . . 0.0 110.617 -179.188 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.75 HG22 ' CE ' ' A' ' 69' ' ' MET . 2.2 t -97.56 158.07 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 178.284 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.3 69.48 0.03 OUTLIER Glycine 0 N--CA 1.505 3.271 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 46' ' ' VAL . 1.7 m 164.41 -42.81 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 122.044 -0.68 . . . . 0.0 109.207 -179.611 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -158.17 -152.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.547 ' HB ' ' CG1' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -137.02 150.56 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.436 -1.415 . . . . 0.0 110.361 179.24 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.499 ' OG1' ' HG3' ' A' ' 69' ' ' MET . 6.7 p -117.9 117.34 29.01 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.431 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -88.21 142.02 28.09 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.361 -0.837 . . . . 0.0 110.477 -179.104 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.56 101.01 0.49 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 15.3 mt-10 -72.21 79.08 0.97 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.431 -1.04 . . . . 0.0 110.379 -179.6 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.936 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 179.799 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 mttt . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' NZ ' ' CD ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -64.84 -46.85 80.16 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.408 -0.807 . . . . 0.0 109.534 178.902 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -62.92 -44.65 95.5 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.352 -0.842 . . . . 0.0 109.014 179.153 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.836 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -60.01 -45.07 93.97 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.651 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.01 90.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.466 -0.771 . . . . 0.0 109.54 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.411 ' CD ' ' NZ ' ' A' ' 63' ' ' LYS . 26.9 mt-10 -54.52 -41.02 69.17 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.437 -0.79 . . . . 0.0 109.713 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.49 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -66.89 -57.27 7.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.228 -0.92 . . . . 0.0 108.972 178.857 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.75 ' CE ' HG22 ' A' ' 46' ' ' VAL . 1.7 mtt -49.11 -50.77 35.59 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.531 -0.731 . . . . 0.0 110.45 179.568 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.758 HD21 HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -65.51 -48.74 71.51 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.151 -0.968 . . . . 0.0 111.483 -179.162 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 68' ' ' LYS . 6.8 p -65.31 -38.4 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.766 -1.209 . . . . 0.0 110.61 -179.068 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.49 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -69.54 -55.72 9.38 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.129 -0.982 . . . . 0.0 109.852 179.888 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.819 HD23 HD11 ' A' ' 76' ' ' LEU . 37.6 mt -58.62 -22.17 55.64 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.978 -1.076 . . . . 0.0 110.595 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.558 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -55.31 -35.78 65.5 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 177.842 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.558 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 79.8 mttt -156.32 88.82 1.09 Allowed 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.469 0.652 . . . . 0.0 109.568 177.875 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.819 HD11 HD23 ' A' ' 73' ' ' LEU . 5.2 mt . . . . . 0 C--N 1.291 -1.943 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.981 179.565 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.413 ' O ' HG23 ' A' ' 13' ' ' VAL . 31.5 Cg_endo . . . . . 0 N--CA 1.479 0.669 0 N-CA-C 110.434 -0.641 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.74 -39.09 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.32 -0.863 . . . . 0.0 109.776 179.085 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -65.33 0.66 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.039 -1.038 . . . . 0.0 109.318 179.298 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -57.47 -33.77 68.33 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.402 -0.811 . . . . 0.0 109.564 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.074 HG22 HD21 ' A' ' 70' ' ' LEU . 55.4 t -65.06 -38.75 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.861 -1.149 . . . . 0.0 108.514 178.251 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.524 ' HE2' ' HD2' ' A' ' 26' ' ' PHE . 4.0 m-70 -68.85 -48.68 62.87 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.526 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 37.4 mt-10 -58.66 -49.04 79.01 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.599 -0.688 . . . . 0.0 109.561 179.157 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.3 mt -70.22 -32.73 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.1 -1.0 . . . . 0.0 108.548 178.805 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.446 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -51.18 -41.92 47.8 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -88.28 -43.42 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 120.841 -1.387 . . . . 0.0 107.953 178.673 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 5.8 tptt -53.59 -34.21 57.6 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.686 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.509 ' HB3' ' HG3' ' A' ' 22' ' ' MET . 0.0 OUTLIER -104.66 24.59 11.52 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.047 -1.033 . . . . 0.0 110.904 -179.208 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.27 38.03 23.72 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.091 -1.006 . . . . 0.0 110.713 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.509 ' HG3' ' HB3' ' A' ' 20' ' ' ARG . 2.4 mtt -99.71 -35.95 9.64 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.996 -1.065 . . . . 0.0 109.968 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.451 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER 64.81 66.33 0.58 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.224 -0.922 . . . . 0.0 109.932 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.577 HG21 HG12 ' A' ' 13' ' ' VAL . 62.6 t -66.19 102.22 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.108 -0.995 . . . . 0.0 109.437 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.541 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 19.3 m-70 -108.27 112.16 24.49 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.245 -0.909 . . . . 0.0 110.14 -179.492 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.524 ' HD2' ' HE2' ' A' ' 14' ' ' HIS . 29.8 m-85 -89.47 137.77 32.03 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.325 -0.859 . . . . 0.0 110.24 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -151.17 124.52 8.87 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.455 -0.778 . . . . 0.0 109.779 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.9 t -90.25 135.21 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.906 -1.121 . . . . 0.0 109.533 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mt -82.71 -36.93 25.4 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.264 -0.897 . . . . 0.0 109.21 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.42 -0.8 . . . . 0.0 109.55 179.674 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 121.192 0.52 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.2 95.87 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.857 -1.152 . . . . 0.0 109.739 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -97.14 123.13 40.81 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.261 -0.899 . . . . 0.0 109.493 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.705 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -102.6 168.38 9.31 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.113 -0.992 . . . . 0.0 109.917 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.647 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -160.21 154.37 23.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.097 -1.002 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.41 HG13 HG13 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -110.25 132.29 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.097 -1.002 . . . . 0.0 110.004 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 46' ' ' VAL . 13.1 p -122.21 95.42 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-O 121.998 0.904 . . . . 0.0 109.812 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.17 -100.97 0.69 Allowed Glycine 0 N--CA 1.5 2.912 0 O-C-N 120.767 -1.208 . . . . 0.0 110.306 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.5 t -118.89 24.91 10.57 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.265 -1.138 . . . . 0.0 110.146 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.63 154.46 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.064 -1.022 . . . . 0.0 109.34 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.41 HG13 HG13 ' A' ' 45' ' ' ILE . 1.2 t -118.22 145.99 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.136 -0.978 . . . . 0.0 109.001 179.233 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.8 152.71 43.97 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.561 -0.712 . . . . 0.0 109.506 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.705 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 10.8 pt-20 -121.95 165.16 16.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.101 -0.999 . . . . 0.0 110.006 179.847 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.17 109.64 0.72 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 66.25 0.33 Allowed 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 121.833 0.825 . . . . 0.0 109.915 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.805 0 O-C-N 121.099 -1.001 . . . . 0.0 110.659 -179.738 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 mttt . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 1.2 ttmt -66.57 -65.14 0.72 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.48 -0.762 . . . . 0.0 109.926 179.285 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -44.54 -40.81 5.97 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.085 -1.009 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.444 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -69.73 -44.18 70.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.326 -0.859 . . . . 0.0 109.396 179.196 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -66.21 -54.71 21.93 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.414 -0.804 . . . . 0.0 110.684 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 3.7 mm-40 -51.22 -40.01 57.82 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.551 ' O ' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -59.35 -47.21 86.27 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.235 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.647 ' SD ' ' HB2' ' A' ' 44' ' ' CYS . 48.0 mtp -59.86 -44.25 94.23 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.122 -0.986 . . . . 0.0 109.097 178.548 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.074 HD21 HG22 ' A' ' 13' ' ' VAL . 62.6 mt -58.02 -54.55 45.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.386 -0.821 . . . . 0.0 109.757 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 68' ' ' LYS . 20.5 m -58.83 -24.76 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.861 -1.149 . . . . 0.0 109.332 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.07 -63.62 1.35 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.713 -0.617 . . . . 0.0 109.926 179.31 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.401 HD23 HG21 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -64.14 -21.37 66.52 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.834 -1.166 . . . . 0.0 110.747 179.912 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.18 17.1 1.73 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.796 -1.19 . . . . 0.0 110.145 179.16 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -13.17 9.97 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.342 -0.849 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.964 -179.7 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo . . . . . 0 CA--C 1.54 0.792 0 N-CA-C 110.443 -0.637 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.529 HG22 ' HB ' ' A' ' 13' ' ' VAL . 10.0 mm 60.21 1.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 120.931 -1.105 . . . . 0.0 112.215 178.412 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -35.41 -72.04 0.06 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.003 -1.061 . . . . 0.0 112.24 -179.373 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -40.15 -43.87 1.72 Allowed 'General case' 0 N--CA 1.507 2.409 0 O-C-N 121.267 -0.896 . . . . 0.0 111.631 -178.638 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.86 HG22 HD21 ' A' ' 70' ' ' LEU . 20.8 t -72.78 -39.62 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 120.722 -1.236 . . . . 0.0 109.183 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.436 ' ND1' ' HB ' ' A' ' 10' ' ' ILE . 44.8 m80 -64.45 -43.29 94.75 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.268 -0.895 . . . . 0.0 108.88 178.692 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 19.2 mt-10 -55.25 -53.74 52.24 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.247 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.821 HD12 ' CD1' ' A' ' 70' ' ' LEU . 75.2 mt -67.13 -43.54 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.225 -0.922 . . . . 0.0 109.532 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.64 -58.75 11.21 Favored Glycine 0 N--CA 1.501 2.992 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -36.23 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.367 -1.078 . . . . 0.0 109.45 178.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -51.34 -33.28 28.77 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.361 -0.837 . . . . 0.0 109.643 178.945 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.67 20.84 13.82 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.317 -0.865 . . . . 0.0 110.185 179.734 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 55.67 40.82 30.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.194 -0.941 . . . . 0.0 109.607 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.9 mtp -101.64 141.28 34.74 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.089 -1.007 . . . . 0.0 110.684 -179.309 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -76.4 118.84 19.5 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.19 -0.944 . . . . 0.0 109.683 179.613 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -105.78 112.46 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.479 -0.763 . . . . 0.0 109.657 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.698 ' HB2' HG22 ' A' ' 45' ' ' ILE . 14.7 m-70 -128.45 133.59 48.56 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.006 -1.059 . . . . 0.0 110.121 -179.584 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.404 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 10.2 m-85 -120.76 140.38 51.77 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.221 -0.924 . . . . 0.0 110.016 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -158.02 165.38 35.24 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.949 -1.095 . . . . 0.0 110.068 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 5.6 t -103.12 154.18 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.896 -1.127 . . . . 0.0 109.468 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.727 HD21 ' CB ' ' A' ' 43' ' ' ALA . 3.7 mt -105.72 -38.61 6.34 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.21 -0.931 . . . . 0.0 109.823 -179.526 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 . . . . . 0 N--CA 1.495 1.81 0 O-C-N 121.293 -0.879 . . . . 0.0 110.026 -179.755 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 121.544 0.688 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.9 mm -75.05 100.51 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.188 -0.945 . . . . 0.0 108.632 179.327 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 53.6 m -99.14 127.81 45.16 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.237 -0.914 . . . . 0.0 110.003 -179.158 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.727 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -108.76 149.89 28.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.434 -0.791 . . . . 0.0 109.531 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.404 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 28.5 p -137.69 155.23 49.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 0.0 110.056 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.698 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.9 tt -133.06 133.58 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.53 -0.731 . . . . 0.0 109.167 179.45 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 23' ' ' THR . 72.2 t -131.07 102.18 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.205 -0.934 . . . . 0.0 109.359 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . 55.92 58.88 11.94 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -179.862 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 t 81.53 -32.36 0.1 Allowed 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.603 -0.94 . . . . 0.0 111.744 179.44 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.627 HD13 ' CD2' ' A' ' 73' ' ' LEU . 6.5 mt -71.54 135.11 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.631 -1.293 . . . . 0.0 109.83 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.507 HG22 HG13 ' A' ' 45' ' ' ILE . 1.6 t -122.34 150.13 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.217 -0.927 . . . . 0.0 109.973 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.498 ' OG1' ' HG3' ' A' ' 69' ' ' MET . 3.3 m -160.41 146.87 15.51 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.333 -0.855 . . . . 0.0 109.354 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -109.26 163.21 13.58 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.115 -0.991 . . . . 0.0 110.861 -179.04 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.681 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -135.84 107.1 0.6 Allowed Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 -179.636 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 17.7 pm0 -70.86 67.57 0.4 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.926 0.87 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.948 0 O-C-N 120.162 -1.586 . . . . 0.0 112.223 -178.658 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.8 mttt . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.615 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 9.3 mmtt -71.53 -63.67 1.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.195 -0.941 . . . . 0.0 108.94 179.095 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -48.58 -38.71 21.44 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.197 -0.939 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.681 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -67.73 -47.74 68.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.059 -1.026 . . . . 0.0 109.642 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.553 ' HB1' ' CG2' ' A' ' 13' ' ' VAL . . . -66.62 -46.54 75.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.443 -0.786 . . . . 0.0 110.636 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 11.9 mm-40 -53.78 -41.92 67.75 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.225 -0.922 . . . . 0.0 109.45 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' HG12 ' A' ' 71' ' ' VAL . 1.2 mtmt -62.73 -58.0 9.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.612 -0.68 . . . . 0.0 109.362 179.209 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.498 ' HG3' ' OG1' ' A' ' 51' ' ' THR . 3.3 ttm -58.47 -40.27 82.2 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.246 -0.909 . . . . 0.0 110.73 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.86 HD21 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -65.32 -55.21 19.52 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.971 -1.081 . . . . 0.0 110.578 -179.32 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 68' ' ' LYS . 7.7 p -56.98 -32.65 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.141 -0.974 . . . . 0.0 109.978 -179.85 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.43 -47.2 16.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.76 -1.212 . . . . 0.0 109.547 179.172 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.627 ' CD2' HD13 ' A' ' 49' ' ' ILE . 54.0 mt -59.35 -36.74 76.29 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.096 -1.002 . . . . 0.0 110.307 179.414 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.56 -18.19 57.15 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.22 -0.925 . . . . 0.0 109.897 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.08 -19.76 15.65 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.293 -0.879 . . . . 0.0 109.949 179.767 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 CA--C 1.554 1.122 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.916 -179.567 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HG3' ' HG2' ' A' ' 67' ' ' GLU . 32.6 Cg_endo . . . . . 0 CA--C 1.537 0.65 0 N-CA-C 111.254 -0.326 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.443 ' O ' HG12 ' A' ' 13' ' ' VAL . 49.2 mm -57.04 -52.07 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.069 -1.019 . . . . 0.0 109.614 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -43.36 63.09 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.962 -1.086 . . . . 0.0 109.642 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.92 -44.19 93.66 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.253 -0.905 . . . . 0.0 110.774 -179.606 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.659 HG13 HG11 ' A' ' 24' ' ' VAL . 2.3 p -61.0 -45.76 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 120.754 -1.216 . . . . 0.0 108.731 179.084 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.492 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 13.2 m80 -62.47 -40.26 96.08 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.45 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.7 OUTLIER -59.4 -56.97 15.27 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.571 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.4 mt -53.47 -43.79 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.46 -0.775 . . . . 0.0 109.61 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.59 -46.02 91.32 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 mt -70.17 -43.3 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.612 -0.934 . . . . 0.0 110.117 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -65.5 -26.01 67.72 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.137 -0.977 . . . . 0.0 110.051 179.688 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 6.5 mmt180 -100.39 -71.03 0.72 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.187 -0.945 . . . . 0.0 110.08 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.53 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 168.26 -32.64 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.517 -0.74 . . . . 0.0 110.446 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.51 ' HG3' ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -59.43 124.12 19.01 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.229 -0.919 . . . . 0.0 111.099 -178.868 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.38 129.65 37.71 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.216 -0.928 . . . . 0.0 109.491 179.281 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.659 HG11 HG13 ' A' ' 13' ' ' VAL . 89.3 t -98.68 114.44 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.403 -0.811 . . . . 0.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.692 ' HB2' HG22 ' A' ' 45' ' ' ILE . 12.1 m-70 -129.83 126.55 38.31 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.073 -1.017 . . . . 0.0 110.401 -179.493 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.618 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 57.7 m-85 -105.37 140.99 37.64 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.439 -0.788 . . . . 0.0 110.025 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -147.61 132.13 17.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.152 -0.968 . . . . 0.0 109.833 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.8 t -95.61 149.45 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.141 -0.974 . . . . 0.0 109.214 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -100.79 -51.5 3.55 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.061 -1.024 . . . . 0.0 110.01 -179.473 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 . . . . . 0 N--CA 1.497 1.879 0 O-C-N 121.298 -0.876 . . . . 0.0 109.983 -179.896 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 121.41 0.624 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.454 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 2.1 mp -90.55 92.06 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.119 -0.988 . . . . 0.0 109.926 -179.809 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.1 m -93.51 122.01 35.5 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.223 -0.923 . . . . 0.0 109.664 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -97.31 159.99 14.59 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.257 -0.902 . . . . 0.0 109.491 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.618 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -143.51 147.06 33.92 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.098 -1.001 . . . . 0.0 110.526 -179.731 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.692 HG22 ' HB2' ' A' ' 25' ' ' HIS . 16.4 tt -122.75 145.28 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.035 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.673 HG11 HD11 ' A' ' 73' ' ' LEU . 13.5 p -140.96 100.99 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 121.855 0.836 . . . . 0.0 109.717 -179.58 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.51 ' HA3' ' HG3' ' A' ' 22' ' ' MET . . . 62.86 -99.78 0.29 Allowed Glycine 0 N--CA 1.502 3.037 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.648 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.9 p -117.17 15.49 14.96 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.33 -1.1 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.401 ' HB ' ' CG1' ' A' ' 46' ' ' VAL . 48.5 mm -121.51 145.24 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.017 -1.052 . . . . 0.0 109.501 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.486 HG22 HG13 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -132.45 143.67 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.076 -1.015 . . . . 0.0 109.275 179.604 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -145.25 140.49 27.88 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.639 -0.663 . . . . 0.0 110.056 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.5 pm0 -99.04 144.14 28.52 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.968 -1.082 . . . . 0.0 110.065 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -119.96 80.58 0.33 Allowed Glycine 0 N--CA 1.497 2.745 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -179.44 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.483 ' HG3' ' NH1' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -65.35 66.99 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 CA-C-O 121.714 0.768 . . . . 0.0 110.864 179.891 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' GLY . . . . . . . . 0 N--CA 1.499 2.879 0 O-C-N 120.409 -1.432 . . . . 0.0 110.788 -179.636 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.547 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 19.9 tttm -69.98 -66.23 0.62 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.12 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.483 ' NH1' ' HG3' ' A' ' 54' ' ' GLU . 18.1 ttt180 -46.94 -39.2 11.87 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.468 -0.77 . . . . 0.0 109.927 178.625 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.32 -50.33 73.27 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.365 -0.834 . . . . 0.0 109.686 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.37 -48.02 37.54 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.222 -0.923 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.549 ' HG2' ' HG3' ' A' ' 9' ' ' PRO . 3.1 mt-10 -53.56 -41.58 66.65 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.28 -0.888 . . . . 0.0 109.244 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.532 ' HE3' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -62.28 -54.86 34.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.464 -0.772 . . . . 0.0 109.808 179.544 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.516 ' HA ' ' CG ' ' A' ' 72' ' ' GLU . 1.9 ttt -59.21 -39.5 82.88 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.429 -0.794 . . . . 0.0 110.261 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.655 ' CD2' HG23 ' A' ' 13' ' ' VAL . 20.0 mt -57.93 -44.16 86.73 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.134 -0.979 . . . . 0.0 110.962 -179.646 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.532 ' CG2' ' HE3' ' A' ' 68' ' ' LYS . 30.6 m -73.33 -41.67 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.762 -1.211 . . . . 0.0 110.97 -179.264 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.516 ' CG ' ' HA ' ' A' ' 69' ' ' MET . 5.5 pt-20 -68.14 -46.16 71.59 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.72 -1.237 . . . . 0.0 109.628 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.673 HD11 HG11 ' A' ' 46' ' ' VAL . 55.1 mt -59.32 -36.26 75.31 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.093 -1.004 . . . . 0.0 109.375 178.826 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -79.65 0.38 30.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.229 -0.919 . . . . 0.0 110.32 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -113.78 -7.4 13.25 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.899 -1.125 . . . . 0.0 111.153 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 N--CA 1.493 1.701 0 O-C-N 120.901 -1.124 . . . . 0.0 110.125 -179.386 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 CA--C 1.542 0.907 0 CA-C-O 120.857 0.274 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mt -136.84 -46.3 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 120.776 -1.203 . . . . 0.0 111.119 -178.806 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.6 p -44.95 -73.4 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.284 -0.885 . . . . 0.0 111.482 -178.875 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -58.11 -30.05 65.97 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.939 -1.101 . . . . 0.0 110.338 -179.266 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.019 HG22 HD21 ' A' ' 70' ' ' LEU . 75.4 t -60.75 -41.8 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.62 -1.3 . . . . 0.0 107.817 177.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -65.66 -34.43 78.2 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.592 ' O ' ' HE2' ' A' ' 19' ' ' LYS . 1.9 tm-20 -51.01 -51.12 56.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.614 -0.679 . . . . 0.0 109.217 178.661 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.638 HD13 HD13 ' A' ' 73' ' ' LEU . 14.5 tt -78.88 -38.4 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 120.927 -1.108 . . . . 0.0 110.3 179.493 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.66 -49.37 74.42 Favored Glycine 0 N--CA 1.504 3.231 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.843 HG22 ' O ' ' A' ' 18' ' ' ILE . 2.9 mp -81.66 39.99 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.302 -1.116 . . . . 0.0 109.185 179.221 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.592 ' HE2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -144.85 -46.53 0.24 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.455 -1.403 . . . . 0.0 109.808 -179.547 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -98.92 35.15 1.93 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.119 -0.988 . . . . 0.0 110.12 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 50.06 39.73 19.84 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.174 -0.954 . . . . 0.0 109.851 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.733 ' HB3' HG22 ' A' ' 46' ' ' VAL . 15.6 mtt -106.31 108.86 20.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.955 -1.091 . . . . 0.0 110.259 -179.35 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.443 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -70.17 86.85 0.57 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.254 -0.904 . . . . 0.0 109.362 179.524 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.013 HG22 HG23 ' A' ' 46' ' ' VAL . 93.0 t -79.27 112.35 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.717 -0.614 . . . . 0.0 109.797 -179.53 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.773 ' HB2' HG22 ' A' ' 45' ' ' ILE . 8.5 m-70 -128.85 151.01 50.09 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.944 -1.098 . . . . 0.0 109.881 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' CB ' ' A' ' 44' ' ' CYS . 78.7 m-85 -130.41 135.98 48.58 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.344 -0.847 . . . . 0.0 110.133 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 12.5 tmtt? -154.22 126.71 8.01 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.135 -0.978 . . . . 0.0 110.124 179.777 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.773 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 46.0 t -76.07 135.29 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.97 -1.081 . . . . 0.0 109.439 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.748 HD21 ' HB2' ' A' ' 43' ' ' ALA . 7.5 mt -73.75 -60.97 2.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.02 -1.05 . . . . 0.0 109.603 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.451 0.643 . . . . 0.0 110.39 -179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 121.368 0.604 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.692 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 3.0 mp -77.99 98.11 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.001 -1.062 . . . . 0.0 109.575 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.773 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 57.9 m -102.54 128.16 49.3 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.175 -0.953 . . . . 0.0 109.738 -179.883 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.748 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -100.73 149.36 23.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.128 -0.983 . . . . 0.0 109.656 179.479 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.588 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 31.3 p -132.71 140.81 48.27 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.829 ' HA ' HG11 ' A' ' 50' ' ' VAL . 16.6 tt -126.34 136.6 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-O 121.071 0.462 . . . . 0.0 110.3 -179.26 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 1.013 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -135.56 148.05 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.223 -0.923 . . . . 0.0 109.616 179.78 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . -42.77 126.51 4.74 Favored Glycine 0 N--CA 1.502 3.039 0 O-C-N 121.206 -0.934 . . . . 0.0 110.867 -179.36 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 11.8 p 97.49 -56.21 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 122.811 0.444 . . . . 0.0 111.402 179.599 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.682 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -163.29 -170.47 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 120.664 -1.273 . . . . 0.0 109.983 -179.425 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.829 HG11 ' HA ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER 172.37 -162.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.161 -0.962 . . . . 0.0 111.474 179.368 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.782 ' N ' HG13 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -168.92 -176.44 2.66 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.455 -0.778 . . . . 0.0 109.737 -179.929 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.586 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.7 mp0 -114.53 -176.93 3.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.01 -1.056 . . . . 0.0 110.066 -179.496 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.84 105.24 0.27 Allowed Glycine 0 N--CA 1.497 2.754 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.572 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.692 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 1.3 pm0 -84.13 52.46 2.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.44 -1.035 . . . . 0.0 110.098 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.12 0 O-C-N 121.021 -1.05 . . . . 0.0 110.843 -179.992 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.644 ' HE2' ' OE2' ' A' ' 67' ' ' GLU . 30.3 tttt -57.7 -38.18 74.78 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.348 -0.845 . . . . 0.0 110.289 179.284 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -52.92 27.32 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.921 -1.112 . . . . 0.0 109.494 179.694 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.91 94.4 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 109.255 179.488 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.34 65.86 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.322 -0.861 . . . . 0.0 110.038 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.644 ' OE2' ' HE2' ' A' ' 63' ' ' LYS . 5.2 mt-10 -56.16 -39.28 72.09 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.165 -0.959 . . . . 0.0 109.223 179.111 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.694 ' HE2' ' OG1' ' A' ' 51' ' ' THR . 1.9 tptt -63.45 -43.61 96.9 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.914 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.709 ' HG2' HD23 ' A' ' 73' ' ' LEU . 22.2 ttm -67.67 -50.68 56.54 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.274 -0.891 . . . . 0.0 109.32 178.474 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.019 HD21 HG22 ' A' ' 13' ' ' VAL . 90.0 mt -51.18 -49.35 61.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.363 -0.836 . . . . 0.0 110.104 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 68' ' ' LYS . 5.7 p -67.55 -34.75 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.913 -1.117 . . . . 0.0 109.408 179.516 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.412 ' OE2' ' HE2' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -62.81 -48.87 77.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.481 -0.762 . . . . 0.0 109.624 179.368 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.709 HD23 ' HG2' ' A' ' 69' ' ' MET . 1.2 pp -79.56 -28.99 41.17 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.056 -1.028 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -75.27 4.79 6.45 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.748 -1.22 . . . . 0.0 110.381 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.29 -3.47 15.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.887 -1.133 . . . . 0.0 110.589 179.754 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.166 -179.878 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.455 ' O ' ' HB ' ' A' ' 13' ' ' VAL . 33.1 Cg_endo . . . . . 0 CA--C 1.535 0.552 0 N-CA-C 110.619 -0.57 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.68 -42.32 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.396 -0.815 . . . . 0.0 109.01 179.025 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.49 -62.16 1.58 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.323 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.492 ' HA ' ' CD ' ' A' ' 15' ' ' GLU . 24.3 mt-30 -50.6 -40.94 54.02 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.388 -0.82 . . . . 0.0 111.253 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.707 HG21 ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -66.4 -40.31 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 120.539 -1.351 . . . . 0.0 109.128 179.721 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.485 ' O ' ' HB ' ' A' ' 18' ' ' ILE . 10.6 m-70 -73.69 -28.93 61.99 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.76 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 4.1 mt-10 -55.25 -52.39 63.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.475 -0.765 . . . . 0.0 109.395 178.762 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -100.91 -34.94 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.193 -0.942 . . . . 0.0 110.128 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.587 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -64.33 -36.48 93.25 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 178.929 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.629 HG22 ' N ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -99.99 -61.5 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.306 -1.114 . . . . 0.0 108.193 178.664 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.629 ' N ' HG22 ' A' ' 18' ' ' ILE . 4.3 ttmt 35.62 -94.75 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.019 0.438 . . . . 0.0 110.332 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ILE . 2.4 ppt_? -164.43 27.44 0.07 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.109 -0.995 . . . . 0.0 109.709 178.932 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.14 -3.9 0.42 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.994 -1.066 . . . . 0.0 111.72 -179.348 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 3.1 mmt -133.9 140.48 46.84 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.848 -1.158 . . . . 0.0 109.208 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.404 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -93.26 82.53 4.52 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.865 -1.147 . . . . 0.0 110.904 -178.878 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.834 HG22 HG12 ' A' ' 46' ' ' VAL . 41.4 t -94.97 108.07 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.732 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -134.85 145.07 47.95 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.943 -1.098 . . . . 0.0 111.2 -178.766 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.495 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 72.6 m-85 -122.84 112.81 18.33 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -123.84 136.77 54.59 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.399 -0.813 . . . . 0.0 109.886 -179.446 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.433 HG22 ' OG1' ' A' ' 42' ' ' THR . 44.1 t -85.47 156.67 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.904 -1.122 . . . . 0.0 109.688 179.564 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 43' ' ' ALA . 7.3 mt -99.81 -38.52 8.63 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.016 -1.053 . . . . 0.0 109.587 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.504 -0.748 . . . . 0.0 110.333 -179.794 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' O ' ' C ' ' A' ' 41' ' ' ILE . 24.3 m-85 . . . . . 0 N--CA 1.508 2.449 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.564 ' C ' ' O ' ' A' ' 40' ' ' PHE . 93.7 mt -16.76 107.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.682 0 CA-C-O 121.355 0.598 . . . . 0.0 111.306 179.746 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.783 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -95.26 135.92 36.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.506 -0.746 . . . . 0.0 109.082 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.786 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -94.2 126.4 39.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.842 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.495 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 20.7 p -121.56 147.52 45.7 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.826 -1.172 . . . . 0.0 110.373 -179.615 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.578 ' HB ' HG13 ' A' ' 50' ' ' VAL . 19.2 tt -134.9 145.41 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.511 -0.743 . . . . 0.0 109.868 -179.805 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.834 HG12 HG22 ' A' ' 24' ' ' VAL . 15.6 m -140.9 97.63 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.486 -0.759 . . . . 0.0 109.821 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 68.55 -95.86 0.4 Allowed Glycine 0 N--CA 1.502 3.041 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -119.38 14.2 12.84 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.4 -1.059 . . . . 0.0 110.841 -179.709 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.432 ' HB ' HG23 ' A' ' 46' ' ' VAL . 98.5 mt -119.87 134.7 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.881 -1.137 . . . . 0.0 109.639 179.844 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.578 HG13 ' HB ' ' A' ' 45' ' ' ILE . 0.4 OUTLIER -129.58 143.02 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.148 -0.97 . . . . 0.0 109.486 179.766 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.58 139.26 18.82 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.518 -0.738 . . . . 0.0 109.397 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 22.4 mt-10 -115.79 149.9 37.79 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.855 -1.153 . . . . 0.0 110.254 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . 156.75 160.34 10.02 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.571 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 2.8 tt0 173.75 -107.83 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.381 -1.07 . . . . 0.0 109.758 -179.508 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.476 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.907 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.005 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -88.5 -63.21 1.33 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.396 -0.815 . . . . 0.0 109.748 179.267 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.455 ' HB3' ' HG2' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -51.27 -57.58 8.47 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.619 -0.676 . . . . 0.0 112.153 -178.554 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.783 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -53.81 -38.77 64.89 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.793 -1.192 . . . . 0.0 109.126 -179.745 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.69 77.07 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.269 -0.894 . . . . 0.0 109.558 178.848 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -48.74 -48.36 40.77 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.389 -0.819 . . . . 0.0 109.108 179.166 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.449 ' O ' HG12 ' A' ' 71' ' ' VAL . 6.7 tmtt? -63.94 -46.47 84.59 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.712 -0.617 . . . . 0.0 109.96 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.538 ' HE1' HG22 ' A' ' 46' ' ' VAL . 2.7 mmt -62.84 -58.38 7.6 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.005 -1.059 . . . . 0.0 109.663 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.707 ' CD2' HG21 ' A' ' 13' ' ' VAL . 1.8 mm? -47.63 -53.19 15.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.46 -0.775 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 68' ' ' LYS . 8.9 p -63.14 -31.18 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.032 -1.042 . . . . 0.0 110.312 -179.704 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.57 -54.33 9.46 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.117 -0.99 . . . . 0.0 109.99 179.615 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.61 -29.21 66.67 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.002 -1.061 . . . . 0.0 110.985 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -82.7 4.51 24.74 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.98 -1.075 . . . . 0.0 110.754 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.14 -0.84 8.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.971 -1.081 . . . . 0.0 110.907 -179.352 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 N--CA 1.488 1.457 0 O-C-N 121.145 -0.972 . . . . 0.0 110.073 -179.128 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo . . . . . 0 CA--C 1.544 1.006 0 CA-C-O 121.193 0.414 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 11' ' ' SER . 4.3 mt -138.78 -80.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.906 -1.122 . . . . 0.0 110.125 179.006 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.412 ' N ' HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -51.58 -59.01 4.74 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.032 -1.043 . . . . 0.0 109.41 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -46.69 -42.48 16.58 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.501 -0.75 . . . . 0.0 110.058 178.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.81 HG22 HD11 ' A' ' 70' ' ' LEU . 99.5 t -63.59 -46.51 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.145 -0.972 . . . . 0.0 109.027 179.452 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.902 ' HA ' HG21 ' A' ' 24' ' ' VAL . 14.9 m80 -61.19 -45.95 92.48 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.782 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.06 -50.99 71.55 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.664 -0.647 . . . . 0.0 109.725 179.22 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.71 -36.48 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.06 -1.025 . . . . 0.0 109.065 179.282 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.04 -42.14 96.81 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.626 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -85.75 -38.11 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 120.912 -1.346 . . . . 0.0 109.134 179.438 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -56.26 -26.31 51.17 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.263 -0.898 . . . . 0.0 110.644 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -109.99 -76.29 0.61 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.168 -0.958 . . . . 0.0 109.62 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 168.4 47.93 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.439 -0.788 . . . . 0.0 109.793 -179.662 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.515 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 26.7 mtt -131.18 118.68 20.8 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.704 -1.247 . . . . 0.0 111.079 -179.302 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -68.17 106.18 2.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.189 -0.944 . . . . 0.0 108.816 178.739 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.902 HG21 ' HA ' ' A' ' 14' ' ' HIS . 18.4 t -72.9 103.73 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.166 -0.959 . . . . 0.0 109.629 -179.453 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.603 ' HB2' HG22 ' A' ' 45' ' ' ILE . 5.1 m-70 -124.09 112.5 17.2 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.878 -1.139 . . . . 0.0 109.836 -179.289 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 9.8 m-85 -119.63 119.43 33.73 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.522 -0.736 . . . . 0.0 109.963 -179.158 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.622 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 8.3 tttm -142.1 141.46 32.72 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.767 -1.208 . . . . 0.0 111.269 -179.627 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.682 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.0 t -79.09 140.51 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 O-C-N 121.156 -0.965 . . . . 0.0 110.126 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 43' ' ' ALA . 9.8 mt -73.29 -43.15 61.5 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.555 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.345 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' GLY . 64.7 m-85 . . . . . 0 N--CA 1.5 2.037 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.2 mt -140.74 120.46 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.264 -0.897 . . . . 0.0 108.857 179.401 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 89.0 m -107.32 122.43 46.55 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.208 -0.933 . . . . 0.0 109.55 -179.762 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.686 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -100.4 148.25 24.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.319 -0.863 . . . . 0.0 109.956 -179.858 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.55 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 1.2 p -138.49 145.73 41.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.371 -0.831 . . . . 0.0 109.362 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.657 HG13 HG22 ' A' ' 50' ' ' VAL . 18.6 tt -134.48 148.43 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.146 -0.972 . . . . 0.0 109.995 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.515 ' HB ' ' HB3' ' A' ' 22' ' ' MET . 8.9 m -139.23 158.32 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.534 -0.729 . . . . 0.0 109.202 179.479 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.28 67.79 0.03 OUTLIER Glycine 0 N--CA 1.506 3.302 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.1 t 171.13 -41.17 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.708 -0.877 . . . . 0.0 109.746 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.471 HD11 HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -158.83 -177.71 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.28 -0.887 . . . . 0.0 110.455 -179.597 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.657 HG22 HG13 ' A' ' 45' ' ' ILE . 2.7 t -129.53 157.69 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.159 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.502 HG21 ' HB3' ' A' ' 68' ' ' LYS . 1.8 m -150.69 156.04 40.54 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.894 -1.129 . . . . 0.0 110.535 -179.586 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.23 155.59 34.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.059 -1.025 . . . . 0.0 110.182 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.44 110.18 0.87 Allowed Glycine 0 N--CA 1.501 2.979 0 N-CA-C 109.109 -1.597 . . . . 0.0 109.109 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.3 54.93 0.08 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.413 -1.051 . . . . 0.0 112.198 -178.326 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' PHE . . . . . . . . 0 N--CA 1.505 3.236 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 178.338 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.2 mttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -61.36 1.82 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.431 -0.793 . . . . 0.0 108.998 177.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.533 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 31.1 ttt85 -49.43 -42.79 43.79 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.423 -0.798 . . . . 0.0 110.298 179.578 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.76 73.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 108.534 178.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.409 ' N ' ' HE2' ' A' ' 26' ' ' PHE . . . -75.28 -39.3 59.85 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.427 -0.796 . . . . 0.0 109.906 178.918 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.533 ' CD ' ' HA ' ' A' ' 64' ' ' ARG . 13.0 mt-10 -48.51 -56.68 7.67 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.812 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.502 ' HB3' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -59.61 -50.68 72.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.865 -0.522 . . . . 0.0 109.926 179.006 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.401 ' HG2' ' OG1' ' A' ' 51' ' ' THR . 0.0 OUTLIER -50.08 -54.48 20.17 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.1 -1.0 . . . . 0.0 110.375 179.861 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.81 HD11 HG22 ' A' ' 13' ' ' VAL . 63.8 mt -66.68 -43.41 84.56 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.843 -1.16 . . . . 0.0 110.185 179.793 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 50.6 t -63.24 -29.14 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 O-C-N 121.085 -1.009 . . . . 0.0 110.128 179.654 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' HA ' ' NZ ' ' A' ' 75' ' ' LYS . 15.7 mt-10 -89.16 -42.91 11.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.795 -1.19 . . . . 0.0 109.878 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.471 HD23 HD11 ' A' ' 49' ' ' ILE . 52.0 mt -69.87 -41.71 74.44 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.539 -0.726 . . . . 0.0 110.399 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -75.21 7.38 3.45 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.861 -1.149 . . . . 0.0 110.212 179.394 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -124.52 5.95 8.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.323 -0.861 . . . . 0.0 109.936 -179.844 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.81 -1.091 . . . . 0.0 110.109 -179.662 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo . . . . . 0 CA--C 1.54 0.81 0 CA-C-O 121.026 0.344 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.411 HG23 ' CE1' ' A' ' 14' ' ' HIS . 68.4 mt -137.87 -42.01 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.34 -0.85 . . . . 0.0 110.495 -178.924 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.43 -64.02 0.77 Allowed 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.275 -0.891 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -55.22 -36.03 65.54 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.351 -0.843 . . . . 0.0 110.471 -179.585 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.69 HG22 HD11 ' A' ' 70' ' ' LEU . 58.8 t -64.97 -43.75 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.581 -1.324 . . . . 0.0 108.491 178.826 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.411 ' CE1' HG23 ' A' ' 10' ' ' ILE . 14.2 m80 -67.77 -38.71 83.78 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.811 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -66.03 -47.0 75.85 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.123 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.567 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 52.0 mt -58.71 -44.38 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.038 -1.039 . . . . 0.0 109.144 179.131 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.05 -50.83 57.99 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 178.533 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 18' ' ' ILE . 37.5 mm -80.08 64.65 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.234 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -168.07 -38.36 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.283 -0.885 . . . . 0.0 109.728 -179.204 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.2 tpm_? -109.27 -53.22 2.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.097 -1.002 . . . . 0.0 110.525 179.623 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 163.17 -18.64 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.645 0 O-C-N 121.798 -0.564 . . . . 0.0 111.45 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.498 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 1.1 mtp -75.56 127.64 33.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.758 -1.214 . . . . 0.0 111.655 -178.205 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 1.1 m -78.11 132.93 37.9 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.463 -0.773 . . . . 0.0 109.375 179.07 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.3 p -87.47 90.57 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.932 -1.105 . . . . 0.0 109.649 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.572 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 17.5 m-70 -108.42 114.21 27.88 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.786 -1.197 . . . . 0.0 110.288 -179.245 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -106.43 147.52 29.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 110.006 179.786 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -158.21 111.31 2.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.227 -0.921 . . . . 0.0 109.578 179.577 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.546 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 47.9 t -56.86 143.81 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 121.086 -1.009 . . . . 0.0 109.621 -179.741 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.793 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 12.6 mt -72.13 -50.6 26.67 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.277 -0.89 . . . . 0.0 109.131 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 17.8 ptt-85 . . . . . 0 N--CA 1.498 1.931 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.975 179.209 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.639 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.076 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 1.04 HG23 ' HB2' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -151.88 -76.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.868 -1.145 . . . . 0.0 109.947 -179.436 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.767 ' N ' HG22 ' A' ' 41' ' ' ILE . 8.9 t 141.27 168.74 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.76 0 CA-C-O 121.751 0.786 . . . . 0.0 109.916 -179.537 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.793 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . . . -107.71 153.14 23.37 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.072 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.564 ' HB3' ' SD ' ' A' ' 69' ' ' MET . 54.1 t -146.74 140.51 25.94 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.914 -1.116 . . . . 0.0 110.375 -179.543 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.572 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -127.75 136.06 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.178 -0.952 . . . . 0.0 109.555 179.491 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.498 ' HB ' ' HB3' ' A' ' 22' ' ' MET . 6.7 m -127.52 107.45 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.467 -0.77 . . . . 0.0 109.806 -179.784 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.92 -104.48 0.67 Allowed Glycine 0 N--CA 1.499 2.873 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 p -113.6 16.19 18.74 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.347 -1.09 . . . . 0.0 110.704 -179.7 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.0 mt -123.39 134.53 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.913 -1.117 . . . . 0.0 109.825 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 1.9 t -113.38 152.45 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.074 -1.016 . . . . 0.0 109.21 179.373 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.632 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 3.2 m -159.94 111.35 1.98 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.304 -0.872 . . . . 0.0 109.36 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.597 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . 2.1 pm0 -123.58 164.19 19.5 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.364 -0.835 . . . . 0.0 110.031 -179.24 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.522 ' O ' ' HB ' ' A' ' 41' ' ' ILE . . . -160.66 168.79 36.22 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.869 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.606 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 3.5 mt-10 -139.08 105.04 5.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.487 -1.008 . . . . 0.0 110.712 179.825 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.602 ' H ' HG12 ' A' ' 41' ' ' ILE . . . . . . . . 0 N--CA 1.498 2.825 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 178.24 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.0 mttm . . . . . 0 N--CA 1.503 2.22 0 CA-C-O 122.964 1.364 . . . . 0.0 107.433 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 0.9 OUTLIER -177.68 -60.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 -179.394 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.921 ' HB2' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.08 -39.0 93.09 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.939 178.374 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 1.04 ' HB2' HG23 ' A' ' 41' ' ' ILE . . . -55.5 -50.83 68.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.385 -0.822 . . . . 0.0 109.363 -179.367 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.38 95.22 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.575 -0.703 . . . . 0.0 110.384 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.66 ' HG3' ' HA ' ' A' ' 64' ' ' ARG . 1.7 mt-10 -52.07 -49.73 62.92 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.299 -0.876 . . . . 0.0 108.993 179.289 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HA ' HG12 ' A' ' 71' ' ' VAL . 23.7 tttm -61.03 -51.55 68.71 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.546 -0.721 . . . . 0.0 109.294 178.796 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.632 ' SD ' ' HB ' ' A' ' 51' ' ' THR . 3.0 tpt -53.34 -49.44 67.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.355 -0.84 . . . . 0.0 110.447 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.69 HD11 HG22 ' A' ' 13' ' ' VAL . 56.3 mt -69.76 -51.31 35.12 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.011 -1.055 . . . . 0.0 110.57 -179.477 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 68' ' ' LYS . 3.3 p -58.01 -38.32 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.036 -1.04 . . . . 0.0 110.249 -179.661 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -76.72 -45.45 29.32 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.977 -1.077 . . . . 0.0 109.481 179.375 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.495 HD22 ' CE ' ' A' ' 22' ' ' MET . 21.5 mt -59.67 -30.07 68.5 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.11 -0.994 . . . . 0.0 109.57 179.224 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.57 8.95 17.44 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.213 -0.929 . . . . 0.0 109.845 178.85 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -126.65 -3.52 6.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.05 -1.031 . . . . 0.0 110.978 -179.397 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.409 -0.807 . . . . 0.0 110.431 -179.652 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 13' ' ' VAL . 37.0 Cg_endo . . . . . 0 CA--C 1.546 1.084 0 CA-C-O 120.706 0.211 . . . . 0.0 111.873 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mm -71.66 -61.21 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.7 -1.25 . . . . 0.0 110.412 -179.676 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.7 t -45.21 -60.35 2.16 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.313 -0.867 . . . . 0.0 110.501 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -43.56 34.35 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.292 -0.88 . . . . 0.0 110.802 -179.626 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.056 HG22 HD21 ' A' ' 70' ' ' LEU . 53.6 t -60.63 -44.59 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 120.767 -1.208 . . . . 0.0 108.89 179.29 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.563 ' HA ' HG21 ' A' ' 24' ' ' VAL . 44.1 m80 -65.87 -43.29 88.81 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.702 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 34.4 mt-10 -58.94 -51.07 71.64 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.424 -0.797 . . . . 0.0 109.436 179.076 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 48.1 mt -65.74 -49.18 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.234 -0.916 . . . . 0.0 109.501 179.822 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.535 ' HA2' ' HG2' ' A' ' 22' ' ' MET . . . -54.69 -46.84 73.66 Favored Glycine 0 N--CA 1.498 2.795 0 N-CA-C 109.816 -1.313 . . . . 0.0 109.816 179.505 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 18' ' ' ILE . 20.7 mm -66.38 -43.43 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.663 -0.904 . . . . 0.0 109.686 179.387 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 9.9 tttt -71.17 -26.53 63.02 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.186 -0.946 . . . . 0.0 110.587 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.594 ' O ' ' HB3' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -89.25 -59.54 2.19 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.089 -1.007 . . . . 0.0 109.996 -179.787 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.594 ' HB3' ' O ' ' A' ' 20' ' ' ARG . 44.0 p-10 145.92 -21.31 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.701 0 CA-C-O 121.23 0.538 . . . . 0.0 109.589 -179.452 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.559 ' HG3' HG13 ' A' ' 46' ' ' VAL . 1.4 ptt? -58.15 137.86 56.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.267 -0.896 . . . . 0.0 111.402 -178.614 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -79.39 103.78 9.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.235 -0.916 . . . . 0.0 109.675 179.49 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.563 HG21 ' HA ' ' A' ' 14' ' ' HIS . 27.2 t -76.51 91.72 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.117 -0.989 . . . . 0.0 109.528 179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.613 ' HB2' HG22 ' A' ' 45' ' ' ILE . 14.3 m-70 -116.35 105.71 12.83 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.07 -1.019 . . . . 0.0 110.377 -179.459 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -90.7 137.97 31.94 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.243 -0.91 . . . . 0.0 109.714 179.503 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' O ' HG23 ' A' ' 42' ' ' THR . 81.8 mttt -140.97 165.77 26.64 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.146 -0.971 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.2 p -131.55 144.35 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.887 -1.133 . . . . 0.0 109.31 179.652 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 8.3 mt -85.95 -60.17 2.09 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.235 -0.916 . . . . 0.0 108.648 179.67 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 9.0 ttp180 . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.501 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 . . . . . 0 N--CA 1.498 1.964 0 CA-C-O 121.342 0.591 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 mt -88.95 117.91 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.079 -1.013 . . . . 0.0 110.011 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 29.8 m -112.1 137.59 49.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.337 -0.852 . . . . 0.0 109.694 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.95 126.91 53.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.182 -0.949 . . . . 0.0 109.586 179.727 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.555 ' HB3' ' HG3' ' A' ' 69' ' ' MET . 46.8 t -114.16 137.1 52.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.069 -1.019 . . . . 0.0 110.08 -179.824 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.733 HD13 ' N ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -117.42 137.16 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.343 -0.848 . . . . 0.0 109.012 179.238 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.733 ' N ' HD13 ' A' ' 45' ' ' ILE . 20.3 t -131.63 107.81 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.385 -0.822 . . . . 0.0 109.69 -179.5 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.72 -94.67 0.09 OUTLIER Glycine 0 N--CA 1.502 3.061 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -126.0 21.15 7.54 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.308 -1.113 . . . . 0.0 110.42 -179.878 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 mp -127.44 143.58 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.0 -1.063 . . . . 0.0 109.548 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.606 HG22 HG12 ' A' ' 45' ' ' ILE . 1.3 t -122.83 146.61 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.001 -1.062 . . . . 0.0 109.602 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.698 ' HB ' ' HG2' ' A' ' 69' ' ' MET . 23.5 m -140.67 126.05 18.79 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.45 -0.781 . . . . 0.0 109.94 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -95.63 152.51 18.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.332 -0.855 . . . . 0.0 109.802 179.668 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -146.17 122.76 1.71 Allowed Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.239 -1.545 . . . . 0.0 109.239 179.884 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.56 95.32 9.54 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.237 -1.155 . . . . 0.0 109.997 -179.403 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.918 0 N-CA-C 109.779 -1.328 . . . . 0.0 109.779 179.404 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 121.052 0.454 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 16.1 tttm -63.93 -62.28 1.74 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.386 -0.821 . . . . 0.0 110.073 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -55.94 -40.41 73.11 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.43 -0.794 . . . . 0.0 109.942 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.485 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -64.33 -43.86 93.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.328 -0.857 . . . . 0.0 109.445 179.625 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.83 -46.77 70.89 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.289 -0.882 . . . . 0.0 110.044 179.634 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 41.6 mt-10 -55.72 -47.91 76.08 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.301 -0.874 . . . . 0.0 109.532 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -60.95 -38.34 85.54 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.407 -0.808 . . . . 0.0 109.364 178.835 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.698 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -64.22 -42.65 96.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.987 . . . . 0.0 109.597 179.265 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.056 HD21 HG22 ' A' ' 13' ' ' VAL . 15.8 mt -62.78 -51.11 68.37 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.095 -1.003 . . . . 0.0 110.55 -179.845 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.37 -40.55 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.014 -1.053 . . . . 0.0 110.233 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.452 ' OE1' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -70.57 -51.11 30.68 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.151 -0.968 . . . . 0.0 109.606 179.426 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.465 ' N ' ' CD2' ' A' ' 73' ' ' LEU . 1.1 mm? -69.49 -3.08 13.08 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.229 -0.919 . . . . 0.0 110.988 179.8 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -19.84 60.03 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.523 -1.361 . . . . 0.0 109.856 179.746 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -106.25 -29.2 9.95 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.233 -0.917 . . . . 0.0 110.159 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.9 mt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.511 -179.891 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.501 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.5 Cg_endo . . . . . 0 CA--C 1.542 0.902 0 CA-C-O 121.411 0.505 . . . . 0.0 111.939 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.55 -47.55 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.112 -0.993 . . . . 0.0 109.559 179.143 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.51 -59.32 3.86 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.246 -0.909 . . . . 0.0 110.017 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -51.37 -37.78 49.86 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.51 -0.744 . . . . 0.0 110.555 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.933 HG22 HD21 ' A' ' 70' ' ' LEU . 69.5 t -62.27 -46.65 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.812 -1.18 . . . . 0.0 108.05 178.61 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.849 ' HA ' HG11 ' A' ' 24' ' ' VAL . 52.4 m80 -64.55 -40.09 94.94 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.134 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 17.1 mt-10 -59.57 -54.93 40.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.584 -0.697 . . . . 0.0 109.367 179.002 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.1 -38.62 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.277 -0.889 . . . . 0.0 109.558 179.764 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.604 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -62.06 -58.35 13.13 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.626 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.26 -43.79 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.264 -1.139 . . . . 0.0 108.563 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 18.8 mmtt -56.24 -33.65 65.61 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.37 -0.831 . . . . 0.0 109.709 178.91 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -97.78 22.25 9.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.264 -0.897 . . . . 0.0 110.212 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.8 37.22 27.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.12 -0.987 . . . . 0.0 110.544 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.649 ' HB3' HG13 ' A' ' 46' ' ' VAL . 5.7 mmt -102.68 156.66 17.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.855 -1.153 . . . . 0.0 110.352 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.467 ' OG1' ' HA ' ' A' ' 46' ' ' VAL . 23.0 p -67.51 -55.53 13.17 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.317 -0.864 . . . . 0.0 110.751 -179.483 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.849 HG11 ' HA ' ' A' ' 14' ' ' HIS . 4.3 t 64.2 65.38 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.543 -0.723 . . . . 0.0 109.823 -179.35 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.87 ' HB2' HG22 ' A' ' 45' ' ' ILE . 5.3 m-70 -110.16 101.47 10.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.69 -1.257 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 44' ' ' CYS . 17.0 m-85 -91.69 121.1 33.03 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.553 -0.717 . . . . 0.0 109.164 179.562 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' A' ' 28' ' ' VAL . 10.8 ttpt -155.29 148.22 24.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.828 -1.17 . . . . 0.0 111.236 -179.609 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 29' ' ' LEU . 49.1 t -96.95 160.64 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.262 -0.898 . . . . 0.0 108.596 178.794 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.419 ' N ' HG12 ' A' ' 28' ' ' VAL . 6.4 mt -98.32 -71.34 0.69 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.889 -1.132 . . . . 0.0 109.61 -179.737 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 121.548 0.69 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.652 HG12 ' HG2' ' A' ' 54' ' ' GLU . 64.7 mt -83.46 105.04 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.079 -1.013 . . . . 0.0 109.683 178.832 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.8 m -93.35 126.65 38.58 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.871 -1.143 . . . . 0.0 109.111 179.328 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -109.17 139.29 44.28 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.081 -1.012 . . . . 0.0 110.933 -179.279 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . 44.0 t -126.45 127.09 44.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.387 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.87 HG22 ' HB2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -106.11 128.59 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.039 -1.038 . . . . 0.0 110.143 -179.879 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.649 HG13 ' HB3' ' A' ' 22' ' ' MET . 25.2 t -125.61 109.26 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.156 -0.965 . . . . 0.0 109.59 -179.764 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.51 -86.84 0.52 Allowed Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.768 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.3 m -140.17 15.6 2.43 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.354 -1.086 . . . . 0.0 110.593 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.2 mt -133.07 141.17 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.992 -1.068 . . . . 0.0 109.496 179.739 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.623 ' HB ' HG12 ' A' ' 45' ' ' ILE . 1.7 p -115.35 159.05 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.983 -1.073 . . . . 0.0 109.898 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.617 ' OG1' ' HG2' ' A' ' 69' ' ' MET . 54.6 p -133.7 101.79 5.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.607 -0.683 . . . . 0.0 109.606 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 3.4 mp0 -76.62 142.43 40.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.217 -0.927 . . . . 0.0 110.151 -179.821 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.28 93.06 0.4 Allowed Glycine 0 N--CA 1.498 2.832 0 N-CA-C 108.601 -1.8 . . . . 0.0 108.601 179.313 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.652 ' HG2' HG12 ' A' ' 41' ' ' ILE . 4.5 mt-10 -70.26 69.29 0.36 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.84 -0.8 . . . . 0.0 111.126 -178.621 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.909 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 178.965 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt . . . . . 0 N--CA 1.499 2.015 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -56.9 11.13 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 176.966 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -61.33 -34.63 75.57 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.263 0.554 . . . . 0.0 109.734 178.109 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.04 73.72 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.768 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.79 85.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.556 -0.715 . . . . 0.0 109.184 178.511 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -51.49 -56.53 12.86 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.536 -0.728 . . . . 0.0 109.235 179.103 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.42 -37.66 70.5 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.145 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.617 ' HG2' ' OG1' ' A' ' 51' ' ' THR . 0.4 OUTLIER -66.7 -46.25 76.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.318 -0.864 . . . . 0.0 110.17 179.557 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.933 HD21 HG22 ' A' ' 13' ' ' VAL . 45.2 mt -69.33 -48.29 61.88 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.888 -1.133 . . . . 0.0 110.889 -179.459 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.11 -36.17 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.079 -1.013 . . . . 0.0 110.628 -179.376 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' NZ ' ' A' ' 75' ' ' LYS . 44.1 mm-40 -86.82 -47.27 9.21 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.004 -1.06 . . . . 0.0 110.009 179.48 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.614 HD11 HG11 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -59.49 -20.84 58.34 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.797 -1.189 . . . . 0.0 110.412 179.798 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -98.29 7.71 45.84 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.066 -1.021 . . . . 0.0 108.99 178.537 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -116.5 -27.62 6.69 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.489 -0.757 . . . . 0.0 109.599 179.719 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.734 -179.79 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo . . . . . 0 CA--C 1.543 0.929 0 CA-C-O 121.756 0.648 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.508 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 26.5 mm -105.8 -63.9 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.431 -0.793 . . . . 0.0 109.405 179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -50.64 -44.89 57.56 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.105 -0.997 . . . . 0.0 109.096 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.69 -38.01 77.3 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.332 -0.855 . . . . 0.0 109.717 178.936 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.783 HG23 HD11 ' A' ' 70' ' ' LEU . 3.6 t -63.28 -44.42 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.749 -1.219 . . . . 0.0 107.786 178.088 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -62.27 -42.49 99.39 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.694 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -59.85 4.54 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.128 0.49 . . . . 0.0 110.924 179.068 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 13' ' ' VAL . 10.6 tt -53.76 -36.22 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.254 -0.903 . . . . 0.0 110.232 -179.34 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.59 ' CA ' ' HA ' ' A' ' 22' ' ' MET . . . -63.23 -57.62 14.69 Favored Glycine 0 N--CA 1.485 1.901 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.015 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 18' ' ' ILE . 3.4 mp -73.71 56.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-O 122.383 1.087 . . . . 0.0 108.845 178.836 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -157.12 -50.68 0.07 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.042 -1.036 . . . . 0.0 109.168 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -112.15 -45.56 3.28 Favored 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.82 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.461 ' C ' ' CG ' ' A' ' 22' ' ' MET . 24.5 m120 -147.3 -90.5 0.09 Allowed 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.151 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.59 ' HA ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -176.6 -76.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 0.0 108.906 178.837 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.782 HG22 ' N ' ' A' ' 47' ' ' GLY . 12.9 p 41.29 81.79 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 CA-C-O 121.566 0.698 . . . . 0.0 111.315 179.484 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' PHE . 21.7 t -74.6 -20.2 16.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.992 -1.068 . . . . 0.0 108.362 178.365 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.686 ' CD2' ' HG2' ' A' ' 69' ' ' MET . 38.5 m80 64.45 -73.34 0.05 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.386 -0.822 . . . . 0.0 111.426 178.116 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 5.4 m-85 -34.91 105.49 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 CA-C-O 121.913 0.863 . . . . 0.0 112.199 -178.816 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.7 tttm -144.63 99.28 3.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.46 -0.775 . . . . 0.0 109.228 179.685 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.69 95.23 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.778 -1.201 . . . . 0.0 109.92 -179.74 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.715 HD23 ' HB2' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -69.53 -32.97 72.12 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.209 -0.932 . . . . 0.0 109.886 179.622 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.832 . . . . 0.0 108.818 179.849 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.5 2.069 0 CA-C-O 121.032 0.444 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mm -77.68 86.09 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.321 -0.862 . . . . 0.0 108.838 179.242 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.9 m -87.59 105.17 17.15 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.676 -1.265 . . . . 0.0 108.912 179.896 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.715 ' HB2' HD23 ' A' ' 29' ' ' LEU . . . -71.58 153.71 41.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.528 -0.732 . . . . 0.0 109.922 -179.716 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -136.12 109.64 7.97 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.109 -0.994 . . . . 0.0 109.34 179.482 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -89.61 126.59 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 120.967 -1.083 . . . . 0.0 111.456 -179.02 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.5 p -117.06 79.64 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-O 121.978 0.894 . . . . 0.0 109.905 179.306 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.782 ' N ' HG22 ' A' ' 23' ' ' THR . . . 71.04 -109.82 3.0 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 120.793 -1.192 . . . . 0.0 110.327 179.478 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -97.78 4.65 49.79 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.413 -1.051 . . . . 0.0 110.653 -179.77 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.53 ' HB ' ' CG1' ' A' ' 46' ' ' VAL . 42.1 mm -119.62 153.55 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.968 -1.082 . . . . 0.0 109.24 179.869 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.99 143.86 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.97 -1.081 . . . . 0.0 109.675 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.647 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 34.1 m -146.17 132.91 19.98 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.413 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.618 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.6 mp0 -80.35 153.67 28.23 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.199 -0.938 . . . . 0.0 111.569 -178.477 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.72 107.84 2.31 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.31 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -83.05 76.74 9.82 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.263 -1.139 . . . . 0.0 110.65 -178.895 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.755 0 C-N-CA 119.838 -1.172 . . . . 0.0 110.222 179.448 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.508 ' HD3' HD11 ' A' ' 10' ' ' ILE . 5.6 ptpt . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 120.664 0.269 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 13.5 mtpp -73.95 -59.38 2.75 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.771 -1.206 . . . . 0.0 109.423 179.339 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -59.79 -40.72 89.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.524 -0.735 . . . . 0.0 109.665 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -58.84 -45.0 91.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.307 -0.871 . . . . 0.0 109.166 179.153 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.579 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . . . -66.87 -52.54 42.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.377 -0.827 . . . . 0.0 109.815 179.656 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.43 -48.18 65.92 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.471 -0.768 . . . . 0.0 109.435 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 8.7 mtpt -51.44 -51.52 54.16 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.291 -0.881 . . . . 0.0 110.288 179.368 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.686 ' HG2' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -72.96 -56.5 5.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.28 -0.888 . . . . 0.0 110.372 -179.464 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.783 HD11 HG23 ' A' ' 13' ' ' VAL . 12.5 mt -50.92 -46.79 60.9 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.297 -0.877 . . . . 0.0 110.369 -179.669 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.3 t -60.68 -45.68 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.084 -1.01 . . . . 0.0 109.328 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.19 -54.73 29.09 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.415 -0.803 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pp -73.14 -2.26 20.8 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.991 -1.068 . . . . 0.0 112.052 -179.249 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -12.8 61.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.294 -1.504 . . . . 0.0 110.296 179.499 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -127.97 0.49 5.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.032 -1.042 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 N--CA 1.486 1.351 0 O-C-N 121.253 -0.904 . . . . 0.0 109.938 -179.411 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 36.6 Cg_endo . . . . . 0 CA--C 1.54 0.822 0 N-CA-C 110.857 -0.478 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.7 mt -53.34 -38.13 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.33 -0.856 . . . . 0.0 110.013 179.715 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -62.95 1.31 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.209 -0.932 . . . . 0.0 109.659 179.376 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.489 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -48.57 -42.58 34.1 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.578 -0.701 . . . . 0.0 110.548 179.909 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.006 HG22 HD21 ' A' ' 70' ' ' LEU . 35.4 t -58.6 -50.04 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.047 -1.033 . . . . 0.0 109.367 179.719 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -67.5 -37.14 82.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.819 . . . . 0.0 109.273 179.073 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.593 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 43.3 mt-10 -64.74 -37.86 89.03 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.481 -0.762 . . . . 0.0 110.532 -179.849 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.3 mt -78.69 -42.03 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.871 -1.143 . . . . 0.0 108.845 179.787 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.425 ' HA3' HG23 ' A' ' 24' ' ' VAL . . . -66.02 -56.46 14.2 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 178.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.7 mt -80.99 76.62 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.399 -1.059 . . . . 0.0 108.89 178.873 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -169.59 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.867 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.599 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -104.76 -57.5 2.02 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.197 -0.939 . . . . 0.0 109.498 178.849 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 9.6 t30 177.42 56.12 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.694 -0.629 . . . . 0.0 109.955 179.487 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 14.4 mtt -152.06 115.54 4.79 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.84 -1.163 . . . . 0.0 110.807 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.469 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -81.79 103.66 11.63 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.05 -1.031 . . . . 0.0 109.284 179.354 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.553 HG22 HG13 ' A' ' 46' ' ' VAL . 59.0 t -86.4 120.04 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.269 -0.894 . . . . 0.0 110.093 -179.532 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.492 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 94.9 m-70 -142.02 113.15 7.53 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.334 -0.854 . . . . 0.0 109.491 179.505 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -79.7 149.69 31.11 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.413 -0.805 . . . . 0.0 110.313 -179.403 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.7 97.25 2.59 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.846 -1.159 . . . . 0.0 110.563 -179.736 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 13.3 p -72.29 127.89 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.037 -1.039 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 6.4 mt -79.87 -38.62 32.33 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.133 -0.979 . . . . 0.0 108.993 179.213 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.507 2.406 0 CA-C-O 121.759 0.79 . . . . 0.0 111.381 179.056 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.425 ' HB2' ' HA ' ' A' ' 30' ' ' ARG . 25.8 m-85 . . . . . 0 N--CA 1.502 2.171 0 CA-C-O 121.045 0.45 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.476 ' HB ' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -57.04 128.48 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.964 -1.085 . . . . 0.0 109.566 -179.468 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.707 ' C ' ' HB2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -114.97 159.13 21.11 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.249 -0.907 . . . . 0.0 108.814 -179.833 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.564 ' N ' ' HB2' ' A' ' 52' ' ' GLU . . . -143.87 102.03 3.84 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.863 -1.148 . . . . 0.0 110.437 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.672 ' CB ' ' HG3' ' A' ' 52' ' ' GLU . 41.9 t -104.89 151.87 23.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.033 -1.042 . . . . 0.0 109.625 179.749 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.68 ' HA ' HG13 ' A' ' 50' ' ' VAL . 16.1 tt -114.66 132.2 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.465 -0.772 . . . . 0.0 108.929 178.865 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.553 HG13 HG22 ' A' ' 24' ' ' VAL . 85.0 t -142.27 88.86 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.409 -0.807 . . . . 0.0 109.437 -179.842 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.05 -100.56 0.65 Allowed Glycine 0 N--CA 1.5 2.907 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 p -104.19 -21.81 13.49 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.35 -1.088 . . . . 0.0 110.789 -179.534 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.574 HD12 HD22 ' A' ' 73' ' ' LEU . 91.8 mt -93.22 132.45 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.912 -1.118 . . . . 0.0 109.392 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.78 HG12 ' H ' ' A' ' 51' ' ' THR . 2.0 t -130.86 -172.26 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.284 -0.885 . . . . 0.0 109.153 179.438 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.78 ' H ' HG12 ' A' ' 50' ' ' VAL . 23.7 m 78.29 159.37 0.19 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -178.136 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 1.006 ' HG2' ' HB1' ' A' ' 65' ' ' ALA . 1.9 mt-10 -124.59 -57.24 1.56 Allowed 'General case' 0 C--N 1.294 -1.817 0 O-C-N 120.257 -1.527 . . . . 0.0 109.442 -179.046 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.75 -172.97 29.62 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -104.04 84.09 2.19 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.265 -1.138 . . . . 0.0 109.051 179.725 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.564 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.212 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.502 2.125 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -59.0 2.2 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.481 -1.387 . . . . 0.0 111.054 -179.495 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.454 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 4.3 mmt180 -59.76 -39.69 85.65 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.122 -0.986 . . . . 0.0 109.85 -179.763 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 1.006 ' HB1' ' HG2' ' A' ' 52' ' ' GLU . . . -63.83 -54.31 36.98 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.19 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.47 71.93 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.32 -0.863 . . . . 0.0 109.22 178.649 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.733 ' O ' HG22 ' A' ' 71' ' ' VAL . 14.7 mt-10 -53.71 -42.76 68.39 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.31 0.576 . . . . 0.0 109.804 179.507 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -73.75 -53.93 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.624 -0.673 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.0 mmt -47.82 -45.96 30.36 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 0.0 110.821 179.811 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.006 HD21 HG22 ' A' ' 13' ' ' VAL . 12.9 mt -70.1 -56.52 6.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.864 -1.147 . . . . 0.0 111.124 -179.12 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 67' ' ' GLU . 26.8 m -56.57 -42.43 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.851 -1.156 . . . . 0.0 110.436 -179.431 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -55.83 14.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.002 -1.061 . . . . 0.0 109.707 179.687 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.574 HD22 HD12 ' A' ' 49' ' ' ILE . 1.6 mm? -58.04 -30.57 66.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.076 -1.015 . . . . 0.0 110.154 179.836 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -52.06 -35.59 47.84 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.167 -0.958 . . . . 0.0 108.697 178.78 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -161.86 79.29 0.55 Allowed 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.636 0.731 . . . . 0.0 109.762 178.32 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.285 -2.219 0 CA-C-O 117.779 -1.105 . . . . 0.0 110.544 179.715 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.513 ' O ' HG23 ' A' ' 13' ' ' VAL . 30.0 Cg_endo . . . . . 0 N--CA 1.479 0.642 0 N-CA-C 110.387 -0.659 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 mt -54.41 -51.22 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.129 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.2 -46.91 82.46 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.359 -0.838 . . . . 0.0 109.613 178.878 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.67 -44.51 96.37 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.091 -1.006 . . . . 0.0 108.744 179.021 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.674 HG12 HG11 ' A' ' 24' ' ' VAL . 92.3 t -57.82 -42.19 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 177.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.533 ' HB3' HD12 ' A' ' 18' ' ' ILE . 10.2 m170 -61.99 -49.18 77.1 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.406 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.601 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 2.4 mm-40 -51.78 -38.55 56.0 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.623 -0.673 . . . . 0.0 110.565 179.582 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.571 HG22 ' CB ' ' A' ' 21' ' ' ASN . 18.2 mt -86.52 -57.78 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.011 -1.055 . . . . 0.0 110.214 -179.313 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.431 ' HA3' HG13 ' A' ' 24' ' ' VAL . . . -55.46 -49.23 65.61 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.805 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 14' ' ' HIS . 54.0 mt -81.53 56.99 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.248 -1.149 . . . . 0.0 109.273 179.283 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.601 ' NZ ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -155.92 -67.71 0.11 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.844 -1.16 . . . . 0.0 108.996 179.919 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.88 45.31 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.58 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.571 ' CB ' HG22 ' A' ' 16' ' ' ILE . 13.6 t-20 -121.43 -78.42 0.6 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.0 110.082 -179.274 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.843 ' HG2' HD12 ' A' ' 45' ' ' ILE . 3.3 tpt -157.22 155.9 31.63 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.032 -1.042 . . . . 0.0 110.131 -178.299 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.571 ' O ' ' HE2' ' A' ' 22' ' ' MET . 0.2 OUTLIER -62.01 123.61 18.57 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.136 -0.978 . . . . 0.0 110.093 179.514 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.674 HG11 HG12 ' A' ' 13' ' ' VAL . 1.5 m -89.08 76.43 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.726 -1.234 . . . . 0.0 111.22 -179.697 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.725 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 88.8 m-70 -81.99 95.72 7.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 109.108 178.955 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.665 ' CE1' HG11 ' A' ' 13' ' ' VAL . 16.6 m-85 -97.87 120.71 38.75 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.168 -0.957 . . . . 0.0 109.722 -179.852 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 1.6 pttt -165.54 138.64 4.39 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.974 -1.079 . . . . 0.0 111.049 -179.917 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.701 HG22 ' OG1' ' A' ' 42' ' ' THR . 97.7 t -82.14 152.87 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.091 -1.006 . . . . 0.0 108.62 178.623 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 52' ' ' GLU . 9.6 mt -93.63 -57.58 2.53 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.892 -1.13 . . . . 0.0 109.406 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 . . . . . 0 N--CA 1.5 2.05 0 O-C-N 121.764 -0.585 . . . . 0.0 110.175 -179.822 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.768 HD11 ' HG3' ' A' ' 52' ' ' GLU . 17.2 tt -52.35 117.88 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.348 -0.845 . . . . 0.0 109.529 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.701 ' OG1' HG22 ' A' ' 28' ' ' VAL . 22.5 m -117.03 129.11 55.8 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.08 -1.013 . . . . 0.0 109.88 -179.014 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.765 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . . . -105.08 153.77 21.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.128 -0.983 . . . . 0.0 111.059 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.844 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 57.8 m -142.73 162.54 35.19 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.06 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.883 HG13 HG21 ' A' ' 50' ' ' VAL . 9.1 mm 63.32 -76.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.023 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' SER . 5.1 t 54.34 -56.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.651 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 177.055 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 45' ' ' ILE . . . -43.45 85.54 0.01 OUTLIER Glycine 0 N--CA 1.514 3.867 0 O-C-N 121.13 -0.981 . . . . 0.0 112.233 -178.126 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.4 m 62.07 5.02 1.32 Allowed 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.415 -1.05 . . . . 0.0 111.33 179.854 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.841 HG22 HG23 ' A' ' 50' ' ' VAL . 11.3 mt -149.75 160.44 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.975 -1.078 . . . . 0.0 110.226 -179.717 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 1.06 HG11 ' HE1' ' A' ' 69' ' ' MET . 62.0 t 61.44 -114.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.343 -0.848 . . . . 0.0 111.597 179.788 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.659 ' HB ' ' O ' ' A' ' 50' ' ' VAL . 6.4 t 126.6 -154.72 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.239 0 CA-C-N 118.821 0.737 . . . . 0.0 109.269 -179.327 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.768 ' HG3' HD11 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -74.32 174.72 8.45 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.246 1.022 . . . . 0.0 112.132 -179.357 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.76 136.38 6.17 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 108.27 -1.932 . . . . 0.0 108.27 179.203 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.487 ' CD ' HH21 ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.78 80.28 6.19 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.021 -1.282 . . . . 0.0 110.647 -178.87 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.0 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.5 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.887 0 CA-C-O 120.569 0.223 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HE2' ' CG ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -108.31 -56.59 2.23 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.034 -1.041 . . . . 0.0 110.395 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.487 HH21 ' CD ' ' A' ' 54' ' ' GLU . 9.9 ttt180 -53.93 -50.5 66.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.263 -0.898 . . . . 0.0 110.352 -179.496 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -62.67 -49.05 76.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.512 -0.742 . . . . 0.0 109.584 179.736 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.451 ' HA ' ' HG2' ' A' ' 69' ' ' MET . . . -58.53 -51.22 70.79 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.299 -0.876 . . . . 0.0 111.258 -179.477 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' CG ' ' HE2' ' A' ' 63' ' ' LYS . 5.2 mm-40 -51.77 -50.28 60.98 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.176 -0.952 . . . . 0.0 109.778 -179.833 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -53.44 -37.26 62.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.512 -0.743 . . . . 0.0 109.285 179.249 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 69' ' ' MET . . . . . 1.06 ' HE1' HG11 ' A' ' 50' ' ' VAL . 58.1 mmm -55.85 -50.14 71.41 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.313 -0.867 . . . . 0.0 108.988 178.505 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' A' ' 13' ' ' VAL . 33.8 mt -67.74 -44.7 76.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.499 -0.751 . . . . 0.0 109.316 179.285 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 67' ' ' GLU . 98.1 t -56.05 -45.54 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.586 -0.696 . . . . 0.0 110.124 179.721 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -55.08 6.41 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.455 -0.778 . . . . 0.0 110.429 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 45' ' ' ILE . 73.2 mt -58.71 -30.62 67.56 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.096 -1.003 . . . . 0.0 111.226 -179.214 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -77.88 -6.79 55.44 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.939 -1.101 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HE3' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -118.39 -32.65 4.58 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.802 -1.186 . . . . 0.0 111.194 -179.76 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.551 ' O ' ' HE2' ' A' ' 75' ' ' LYS . 2.4 mt . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 117.28 -1.343 . . . . 0.0 112.628 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -138.89 -163.16 1.42 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.763 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -100.0 -61.75 1.33 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.834 -0.541 . . . . 0.0 109.694 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.49 104.82 2.94 Favored Glycine 0 N--CA 1.502 3.082 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 1.5 p-10 -103.78 -80.43 0.53 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.242 -1.152 . . . . 0.0 110.957 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 12.3 mttt -161.68 -60.21 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.97 -1.081 . . . . 0.0 109.715 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HE3' ' OE1' ' A' ' 12' ' ' GLN . 9.0 pttt -174.82 -158.14 0.07 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.199 -0.938 . . . . 0.0 109.787 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.2 t -84.41 133.65 44.27 Favored Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 120.739 -1.225 . . . . 0.0 109.627 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.783 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.7 Cg_endo -76.74 -36.57 1.52 Allowed 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 122.412 2.075 . . . . 0.0 110.619 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.671 HD11 ' HG2' ' A' ' 62' ' ' LYS . 22.0 mt -46.24 -49.95 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.479 -0.763 . . . . 0.0 110.064 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -56.04 -57.96 9.92 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.305 -0.872 . . . . 0.0 109.578 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.443 ' HG3' ' H3 ' ' B' ' 15' ' ' ' U' . 0.4 OUTLIER -59.13 -36.41 75.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.19 -0.944 . . . . 0.0 110.697 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 9' ' ' PRO . 25.1 t -60.97 -45.4 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 120.788 -1.195 . . . . 0.0 108.231 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.488 ' HA ' HG21 ' A' ' 24' ' ' VAL . 25.4 m-70 -66.98 -45.54 77.36 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 47.7 mt-10 -55.14 -50.71 68.59 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.623 -0.673 . . . . 0.0 109.485 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.6 mm -71.19 -40.07 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.009 -1.057 . . . . 0.0 109.474 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.62 -42.12 90.31 Favored Glycine 0 N--CA 1.497 2.753 0 N-CA-C 109.351 -1.499 . . . . 0.0 109.351 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.43 -48.86 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.629 -0.924 . . . . 0.0 109.418 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 5.5 tmtt? -56.26 -32.15 64.25 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.281 -0.887 . . . . 0.0 110.697 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -98.31 -78.02 0.5 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.178 -0.951 . . . . 0.0 109.627 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER 161.97 62.04 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.913 ' HB3' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -136.99 126.61 25.31 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.853 -1.154 . . . . 0.0 110.851 -177.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.443 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -74.3 101.83 4.16 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.34 -0.85 . . . . 0.0 108.744 178.645 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.488 HG21 ' HA ' ' A' ' 14' ' ' HIS . 53.3 t -80.85 106.16 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.251 -0.906 . . . . 0.0 110.111 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.794 ' HB2' HG22 ' A' ' 45' ' ' ILE . 7.5 m-70 -130.7 126.57 36.83 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.097 -1.002 . . . . 0.0 109.955 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CE2' HG12 ' A' ' 24' ' ' VAL . 73.1 m-85 -109.95 141.52 42.59 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.198 -0.939 . . . . 0.0 109.276 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -152.81 174.44 14.06 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.116 -0.99 . . . . 0.0 110.486 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.017 HG21 ' HG3' ' A' ' 32' ' ' GLU . 45.2 t -125.08 145.65 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.192 -0.943 . . . . 0.0 108.683 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.24 -24.63 14.78 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.144 -0.973 . . . . 0.0 110.8 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 -138.02 153.09 49.4 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.966 -1.083 . . . . 0.0 110.717 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 56.27 -150.27 0.44 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.903 -0.498 . . . . 0.0 109.959 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 1.017 ' HG3' HG21 ' A' ' 28' ' ' VAL . 1.1 tm-20 65.52 -160.61 0.27 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.008 -1.058 . . . . 0.0 110.792 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' H ' ' CD ' ' A' ' 32' ' ' GLU . . . 122.3 -148.44 17.03 Favored Glycine 0 N--CA 1.499 2.862 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -77.4 -87.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 122.666 2.244 . . . . 0.0 110.592 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.82 79.32 0.46 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.083 -1.011 . . . . 0.0 108.995 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.673 ' O ' " H1'" ' B' ' 3' ' ' ' A' . 0.1 OUTLIER -157.14 -167.44 2.33 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.151 -0.968 . . . . 0.0 110.774 -178.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.443 ' SD ' ' HE2' ' A' ' 58' ' ' LYS . 8.1 mtm -131.87 91.38 2.97 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HA ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -30.03 98.67 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 121.709 0.766 . . . . 0.0 111.17 -178.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.586 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 0.5 OUTLIER -166.9 -153.39 0.15 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.529 -0.732 . . . . 0.0 109.633 -178.762 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 68.44 -85.14 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.477 -0.764 . . . . 0.0 110.955 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.402 HG23 HD12 ' A' ' 41' ' ' ILE . 9.5 mm -125.19 73.86 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.79 -1.194 . . . . 0.0 109.306 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -87.07 117.02 25.52 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.155 -0.966 . . . . 0.0 109.617 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.97 152.0 25.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.436 -0.79 . . . . 0.0 109.529 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.567 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 1.8 m -126.95 134.16 50.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.157 -0.964 . . . . 0.0 109.413 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.794 HG22 ' HB2' ' A' ' 25' ' ' HIS . 7.9 tt -114.08 142.8 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.087 -1.008 . . . . 0.0 109.113 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.913 HG22 ' HB3' ' A' ' 22' ' ' MET . 4.0 p -137.24 155.2 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -0.839 . . . . 0.0 109.234 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.68 63.86 0.04 OUTLIER Glycine 0 N--CA 1.507 3.37 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER 174.08 -39.24 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.626 -0.926 . . . . 0.0 109.714 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.22 -177.88 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.18 -0.95 . . . . 0.0 110.164 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.687 HG22 HG13 ' A' ' 45' ' ' ILE . 3.4 t -127.02 158.2 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.646 ' CG2' ' HG2' ' A' ' 68' ' ' LYS . 0.8 OUTLIER -140.63 111.54 7.03 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.878 -1.139 . . . . 0.0 111.006 -179.272 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 146.25 27.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.359 -0.838 . . . . 0.0 109.077 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.21 95.66 0.18 Allowed Glycine 0 N--CA 1.497 2.748 0 C-N-CA 119.653 -1.261 . . . . 0.0 110.549 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.92 63.06 0.63 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.548 -0.972 . . . . 0.0 110.078 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.505 ' HA3' ' N ' ' A' ' 61' ' ' SER . . . -70.07 122.32 11.31 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.991 -1.243 . . . . 0.0 109.991 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -117.58 71.98 0.83 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.103 -1.233 . . . . 0.0 109.654 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.32 154.66 7.17 Favored Glycine 0 N--CA 1.5 2.949 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HE2' ' SD ' ' A' ' 37' ' ' MET . 18.3 mttt -56.19 -15.12 3.32 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.394 -1.062 . . . . 0.0 111.686 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -98.16 -8.41 27.59 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.728 -1.232 . . . . 0.0 110.983 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 61' ' ' SER . 1.3 t -126.12 169.39 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.91 -1.119 . . . . 0.0 108.929 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.586 ' HB3' ' HA ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER 77.57 119.82 0.05 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.161 -0.962 . . . . 0.0 108.742 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.671 ' HG2' HD11 ' A' ' 10' ' ' ILE . 2.5 ttpt 83.6 -61.16 0.12 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 34.3 tttp -72.58 -57.58 4.03 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -43.76 91.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.688 -0.632 . . . . 0.0 110.18 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.567 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -63.31 -56.5 15.93 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.556 -0.715 . . . . 0.0 109.864 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.31 91.42 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.315 -0.865 . . . . 0.0 109.899 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -55.98 -48.12 76.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.449 -0.782 . . . . 0.0 109.338 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.646 ' HG2' ' CG2' ' A' ' 51' ' ' THR . 9.8 tttt -58.76 -45.2 90.27 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.473 ' HE3' ' HB ' ' A' ' 46' ' ' VAL . 42.1 tpp -57.1 -38.53 73.53 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.619 ' CD2' HG22 ' A' ' 13' ' ' VAL . 14.1 mt -69.81 -56.89 5.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.327 -0.858 . . . . 0.0 110.064 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.576 HG12 ' HA ' ' A' ' 68' ' ' LYS . 8.9 p -56.9 -30.85 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.173 -0.954 . . . . 0.0 110.526 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.37 -50.17 8.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.766 -1.209 . . . . 0.0 108.987 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.651 HD11 HG21 ' A' ' 46' ' ' VAL . 14.2 mt -59.62 -29.14 67.8 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.198 -0.939 . . . . 0.0 110.068 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -9.94 54.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.839 -1.163 . . . . 0.0 109.535 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.1 -31.51 12.44 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.365 -0.835 . . . . 0.0 109.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 118.343 -0.836 . . . . 0.0 109.819 -179.308 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.45 " H2'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.436 1.805 0 C5'-C4'-C3' 111.091 -2.939 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.45 " O4'" " H2'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.437 1.883 0 O4'-C1'-N19 111.406 3.206 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.673 " H1'" ' O ' ' A' ' 36' ' ' HIS . . . . . . . . 0 P--O5' 1.614 2.078 0 C5'-C4'-C3' 111.274 -2.817 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 O4'-C1'-N19 111.004 2.804 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.217 0 C5'-C4'-C3' 111.231 -2.846 . 0.014 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.104 0 C5'-C4'-C3' 111.327 -2.782 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.058 0 C5'-C4'-C3' 111.222 -2.852 . 0.049 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.566 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.999 0 O4'-C1'-N19 111.072 2.872 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . 0.438 " H2'" ' C6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 C5'-C4'-C3' 111.316 -2.79 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.604 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.086 0 C5'-C4'-C3' 111.206 -2.862 . 0.198 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.061 0 C5'-C4'-C3' 111.04 -2.973 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.429 " O2'" " H5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.918 0 C5'-C4'-C3' 111.196 -2.869 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.482 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.994 0 C5'-C4'-C3' 110.918 -3.055 . 0.131 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.831 " O2'" ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C3'-C2'-C1' 104.53 3.366 . 0.12 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.443 ' H3 ' ' HG3' ' A' ' 12' ' ' GLN . . . . . . . . 0 P--O5' 1.613 2.035 0 C5'-C4'-C3' 111.182 -2.879 . 0.209 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.831 ' H5 ' " O2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.61 1.718 0 C5'-C4'-C3' 110.858 -3.095 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.805 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.783 0 O4'-C1'-N19 111.186 2.986 . 0.0 OUTLIER '7D dist 0i' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.805 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.329 0 C5'-C4'-C3' 111.455 -2.696 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.018 0 O4'-C1'-N19 111.096 2.896 . 0.09 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.043 0 C5'-C4'-C3' 111.266 -2.823 . 0.156 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.942 0 C5'-C4'-C3' 111.159 -2.894 . 0.126 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.478 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.004 0 O4'-C1'-N19 111.068 2.868 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.478 ' C8 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.107 0 C5'-C4'-C3' 111.222 -2.852 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 C5'-C4'-C3' 111.361 -2.759 . 0.074 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.44 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.062 0 C5'-C4'-C3' 111.307 -2.795 . 0.125 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.44 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.1 0 C5'-C4'-C3' 111.345 -2.77 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.599 " O2'" " H5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.134 0 O4'-C1'-N19 110.88 2.68 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.599 " H5'" " O2'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.986 0 C5'-C4'-C3' 111.21 -2.86 . 0.097 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.575 " O4'" " H2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.337 0 C3'-C2'-C1' 104.314 3.126 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.448 ' C6 ' " O2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 111.141 2.941 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.429 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.71 54.95 0.88 Allowed 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.882 0.848 . . . . 0.0 109.95 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 1' ' ' MET . 26.6 mp0 -88.67 35.51 0.78 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.064 -1.023 . . . . 0.0 109.83 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.03 114.61 0.52 Allowed Glycine 0 N--CA 1.497 2.715 0 O-C-N 120.692 -1.255 . . . . 0.0 110.693 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.416 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 34.1 t70 -152.58 -82.66 0.09 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.848 -0.795 . . . . 0.0 109.37 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -140.46 130.13 24.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.039 -1.038 . . . . 0.0 109.154 179.639 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -74.09 54.74 0.55 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.988 -1.07 . . . . 0.0 110.285 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.465 ' OG ' ' CE ' ' A' ' 63' ' ' LYS . 3.4 m 172.45 83.86 0.04 OUTLIER Pre-proline 0 N--CA 1.504 2.267 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HB2' HD11 ' A' ' 70' ' ' LEU . 33.8 Cg_endo -73.97 52.07 2.54 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.413 2.075 . . . . 0.0 112.177 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.581 ' O ' HG12 ' A' ' 13' ' ' VAL . 49.7 mm -69.8 -52.52 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.011 -1.055 . . . . 0.0 108.693 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -52.57 64.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.05 -1.031 . . . . 0.0 108.726 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -52.51 -43.63 65.21 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.628 -0.67 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.9 HG23 ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -63.25 -40.32 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.636 -1.29 . . . . 0.0 108.735 179.301 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.816 ' HA ' HG11 ' A' ' 24' ' ' VAL . 16.7 m-70 -67.26 -36.31 81.34 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 33.2 mt-10 -66.29 -60.23 2.97 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.777 -0.577 . . . . 0.0 110.206 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -55.38 -33.34 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.146 -0.972 . . . . 0.0 110.977 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -69.14 -49.11 42.38 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.7 mp -77.94 -37.07 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.61 -0.935 . . . . 0.0 110.626 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -60.84 -19.47 59.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.896 -1.128 . . . . 0.0 110.957 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -117.69 -76.98 0.57 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.096 -1.002 . . . . 0.0 109.799 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 30.7 t-20 171.81 62.13 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.579 -0.7 . . . . 0.0 109.67 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.415 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -140.06 117.59 11.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.745 -1.222 . . . . 0.0 110.492 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -66.78 100.7 0.73 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.395 -0.816 . . . . 0.0 109.451 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.816 HG11 ' HA ' ' A' ' 14' ' ' HIS . 9.4 p -96.36 110.76 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.393 -0.817 . . . . 0.0 110.114 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.799 ' HB2' HG22 ' A' ' 45' ' ' ILE . 9.9 m-70 -132.21 124.82 29.74 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.729 -1.232 . . . . 0.0 109.912 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE2' HG22 ' A' ' 24' ' ' VAL . 91.1 m-85 -111.32 123.99 51.33 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.27 -0.894 . . . . 0.0 109.521 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 28' ' ' VAL . 6.8 tttp -146.69 132.3 18.81 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.87 -1.144 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.517 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 77.4 t -76.06 149.72 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.085 -1.01 . . . . 0.0 109.428 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.891 HD21 ' HB2' ' A' ' 43' ' ' ALA . 7.4 mt -98.5 -63.93 1.08 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.339 -0.851 . . . . 0.0 109.569 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.97 146.27 10.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.576 -0.702 . . . . 0.0 110.251 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.786 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 1.3 pm0 -83.95 160.32 21.09 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.6 -0.688 . . . . 0.0 111.035 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.9 65.11 6.89 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.346 -0.846 . . . . 0.0 110.235 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.67 -153.74 25.53 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.62 -19.16 11.57 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.416 2.077 . . . . 0.0 111.622 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' HIS . . . -163.79 179.22 7.25 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.107 -0.996 . . . . 0.0 110.093 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.752 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 68.7 m80 -31.21 -71.84 0.05 OUTLIER 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.993 -0.442 . . . . 0.0 111.632 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.456 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER 68.26 -67.29 0.2 Allowed 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.024 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 37' ' ' MET . 13.7 mttm -163.11 -65.52 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.839 -0.538 . . . . 0.0 111.874 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -81.55 133.92 35.44 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.191 -0.943 . . . . 0.0 112.526 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.786 ' CE1' ' HB3' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -134.36 114.97 13.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.698 -0.627 . . . . 0.0 110.346 178.83 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.35 101.45 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.343 -0.848 . . . . 0.0 109.712 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.517 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 52.4 m -95.9 117.49 30.71 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.131 -0.981 . . . . 0.0 109.22 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.891 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -79.78 143.06 34.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.429 -0.794 . . . . 0.0 109.817 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 1.047 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 7.4 m -131.67 119.37 21.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.367 -0.833 . . . . 0.0 109.755 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.799 HG22 ' HB2' ' A' ' 25' ' ' HIS . 3.3 tt -110.15 133.95 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.984 -1.072 . . . . 0.0 110.159 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.824 HG11 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.36 -168.8 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.71 93.67 0.12 Allowed Glycine 0 N--CA 1.501 3.018 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m 69.24 27.22 5.21 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.627 -0.925 . . . . 0.0 110.353 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.1 mt -141.86 150.84 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.091 -1.006 . . . . 0.0 109.524 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.402 HG22 HG13 ' A' ' 45' ' ' ILE . 2.4 t -130.06 151.44 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.824 -1.173 . . . . 0.0 108.587 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.663 HG23 ' HE3' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -165.3 116.98 1.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.235 -0.916 . . . . 0.0 109.931 -179.328 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' HG3' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -85.3 160.85 19.74 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.094 -1.004 . . . . 0.0 110.129 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.53 108.31 0.74 Allowed Glycine 0 N--CA 1.499 2.841 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.67 78.83 3.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.629 -0.924 . . . . 0.0 109.927 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.751 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -97.68 174.07 28.92 Favored Glycine 0 N--CA 1.499 2.868 0 O-C-N 120.638 -1.289 . . . . 0.0 111.283 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.477 ' H ' ' HB ' ' A' ' 60' ' ' VAL . 0.1 OUTLIER -82.5 34.38 0.43 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.51 -0.994 . . . . 0.0 111.296 -179.603 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.654 ' HA2' ' HB2' ' A' ' 40' ' ' PHE . . . 80.11 -146.39 27.87 Favored Glycine 0 N--CA 1.5 2.911 0 O-C-N 120.691 -1.256 . . . . 0.0 112.156 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -63.32 76.06 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 122.013 -0.698 . . . . 0.0 111.531 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' HE2' ' HB3' ' A' ' 59' ' ' LYS . 10.0 ptpt 168.15 -43.09 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.683 -0.636 . . . . 0.0 109.551 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.524 HG12 ' CA ' ' A' ' 55' ' ' GLY . 2.7 t -122.15 -33.98 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.437 -0.789 . . . . 0.0 110.836 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.751 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 75.3 m -53.98 -44.22 70.62 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.668 -1.27 . . . . 0.0 110.625 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.439 ' HE2' HG13 ' A' ' 10' ' ' ILE . 24.6 tttt -73.39 -9.14 58.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.055 -1.028 . . . . 0.0 110.302 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' CE ' ' OG ' ' A' ' 8' ' ' SER . 15.0 mttp -101.57 -68.18 0.83 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.165 -0.959 . . . . 0.0 109.053 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -44.92 -38.32 4.58 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.555 -0.715 . . . . 0.0 110.251 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 1.047 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -66.2 -45.3 81.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.115 -0.991 . . . . 0.0 109.024 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.92 75.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.359 -0.838 . . . . 0.0 109.37 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.63 -52.62 22.19 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.576 -0.703 . . . . 0.0 109.183 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.663 ' HE3' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -55.18 -53.84 50.94 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.707 -0.621 . . . . 0.0 109.721 179.139 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.75 ' SD ' HG23 ' A' ' 24' ' ' VAL . 3.2 ttm -58.0 -37.44 74.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.138 -0.976 . . . . 0.0 110.201 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.9 ' CD2' HG23 ' A' ' 13' ' ' VAL . 13.1 mt -67.1 -49.59 64.45 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.923 -1.111 . . . . 0.0 109.394 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 68' ' ' LYS . 9.8 p -65.17 -35.9 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.045 -1.035 . . . . 0.0 108.994 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.47 ' OE2' ' HD2' ' A' ' 68' ' ' LYS . 2.5 mt-10 -64.74 -47.23 79.01 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.824 HD21 HG11 ' A' ' 46' ' ' VAL . 95.0 mt -74.06 -27.22 60.81 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.244 -0.91 . . . . 0.0 111.206 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.35 -10.53 59.75 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.872 -1.142 . . . . 0.0 111.318 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.562 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -117.11 -13.65 10.55 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -0.992 . . . . 0.0 110.877 -179.647 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 73' ' ' LEU . 13.2 mt . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.38 -1.295 . . . . 0.0 110.685 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.96 0 O4'-C1'-N19 110.942 2.742 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.201 0 O4'-C1'-N19 111.148 2.948 . 0.192 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.433 ' C6 ' ' C5 ' ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.617 2.435 0 O4'-C1'-N19 111.129 2.929 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.433 ' C5 ' ' C6 ' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.952 0 O4'-C1'-N19 111.121 2.921 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.874 0 C5'-C4'-C3' 111.31 -2.794 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.022 0 C5'-C4'-C3' 110.99 -3.007 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.063 0 O4'-C1'-N19 111.084 2.884 . 0.094 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.097 0 C5'-C4'-C3' 111.08 -2.946 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . 0.443 " H2'" ' C6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.002 0 O4'-C1'-N19 111.226 3.026 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.54 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.009 0 C5'-C4'-C3' 111.188 -2.875 . 0.354 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.552 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.119 0 O4'-C1'-N19 111.045 2.845 . 0.226 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.646 " H2'" ' O2 ' ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.939 0 O4'-C1'-N19 111.058 2.858 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.594 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.35 0 O4'-C1'-N19 112.112 3.912 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.594 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 C3'-C2'-C1' 104.805 3.672 . 0.271 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.964 0 C5'-C4'-C3' 111.282 -2.812 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.459 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.923 0 C5'-C4'-C3' 110.984 -3.011 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.679 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.973 0 C5'-C4'-C3' 110.874 -3.084 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.679 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.047 0 C5'-C4'-C3' 111.32 -2.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.056 0 O4'-C1'-N19 111.209 3.009 . 0.338 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.524 ' H21' " H1'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 C2'--O2' 1.435 1.67 0 C5'-C4'-C3' 110.969 -3.021 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.524 " H1'" ' H21' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.81 0 C5'-C4'-C3' 111.152 -2.898 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.545 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.018 0 C5'-C4'-C3' 111.205 -2.863 . 0.274 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.545 ' C8 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.05 0 O4'-C1'-N19 110.963 2.763 . 0.02 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C5'-C4'-C3' 111.385 -2.744 . 0.471 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.135 0 C5'-C4'-C3' 111.088 -2.941 . 0.123 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.513 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.881 0 C5'-C4'-C3' 111.137 -2.909 . 0.262 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.402 " H2'" ' C6 ' ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.212 0 O4'-C1'-N19 111.314 3.114 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.499 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.087 0 O4'-C1'-N19 111.06 2.86 . 0.281 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.08 0 C5'-C4'-C3' 111.268 -2.822 . 0.181 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 O4'-C1'-N19 111.166 2.966 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.07 -77.91 0.18 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -176.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.593 ' HG2' ' HE2' ' A' ' 6' ' ' LYS . 24.3 tt0 -58.96 -66.39 0.51 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.056 -1.028 . . . . 0.0 109.037 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.02 -178.49 37.53 Favored Glycine 0 N--CA 1.499 2.843 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.62 131.04 45.37 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.788 -1.419 . . . . 0.0 110.041 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.593 ' HE2' ' HG2' ' A' ' 3' ' ' GLU . 6.9 mmtt -124.97 -4.35 7.53 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.393 -0.817 . . . . 0.0 110.362 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.618 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 22.7 mtmt -152.03 158.11 42.6 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.265 -0.897 . . . . 0.0 109.362 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.56 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 27.9 p -105.36 95.24 9.44 Favored Pre-proline 0 N--CA 1.5 2.048 0 O-C-N 121.284 -0.885 . . . . 0.0 108.928 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.618 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 36.8 Cg_endo -77.59 146.9 24.57 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.487 2.125 . . . . 0.0 111.51 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.468 HG22 ' ND1' ' A' ' 14' ' ' HIS . 45.2 mm -78.51 -49.39 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.256 -0.903 . . . . 0.0 109.887 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -49.96 28.48 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.127 -0.983 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.582 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -58.67 -44.24 90.13 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.13 -0.982 . . . . 0.0 109.443 179.422 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.812 HG22 HD21 ' A' ' 70' ' ' LEU . 65.4 t -59.3 -44.16 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.468 ' ND1' HG22 ' A' ' 10' ' ' ILE . 37.4 m80 -61.67 -38.37 87.5 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.457 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -58.33 -61.74 2.36 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.816 -0.553 . . . . 0.0 109.729 178.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.2 pp -58.97 -36.89 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 120.794 -1.191 . . . . 0.0 110.192 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.69 -48.67 79.65 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.9 mm -73.73 -36.88 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.599 -0.942 . . . . 0.0 109.484 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 10.4 mmtp -61.57 -34.91 76.41 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.433 -0.792 . . . . 0.0 110.677 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.647 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -93.66 -72.86 0.59 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.228 -0.92 . . . . 0.0 109.298 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.647 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 37.0 t-20 164.69 64.93 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.17 141.19 46.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.856 -1.152 . . . . 0.0 110.413 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -41.59 97.53 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.677 -0.64 . . . . 0.0 110.439 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 t 64.82 72.86 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 CA-C-O 121.834 0.826 . . . . 0.0 109.433 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.566 ' HB2' HG22 ' A' ' 45' ' ' ILE . 5.0 m-70 -120.23 117.94 29.17 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.859 -1.151 . . . . 0.0 109.724 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 22.1 m-85 -92.49 149.04 21.62 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.388 -0.82 . . . . 0.0 109.704 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -158.61 118.94 3.25 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.945 -1.097 . . . . 0.0 110.537 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.656 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 78.4 t -76.62 130.73 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.138 -0.976 . . . . 0.0 109.014 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.584 HD21 ' CB ' ' A' ' 43' ' ' ALA . 7.3 mt -72.33 -48.37 42.58 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.349 -0.844 . . . . 0.0 108.885 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 2.1 ptm180 170.11 118.34 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 121.216 0.531 . . . . 0.0 109.603 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 2.6 pt-20 -79.94 -148.23 0.05 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.163 -0.96 . . . . 0.0 108.67 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HB3' ' O ' ' A' ' 37' ' ' MET . 10.5 pt-20 -85.62 140.17 30.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.01 -1.681 . . . . 0.0 110.452 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.86 -64.07 1.32 Allowed Glycine 0 N--CA 1.495 2.622 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -82.91 141.24 10.56 Favored 'Trans proline' 0 C--N 1.315 -1.222 0 C-N-CA 121.891 1.727 . . . . 0.0 108.849 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.71 82.79 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.954 -1.091 . . . . 0.0 109.968 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -164.08 -33.23 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.116 -0.99 . . . . 0.0 111.729 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.569 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 5.8 tpt -109.48 75.58 0.95 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.564 -1.335 . . . . 0.0 110.324 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 77.22 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.508 -0.745 . . . . 0.0 111.282 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 37' ' ' MET . 1.0 OUTLIER -131.84 147.56 52.49 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.901 -1.124 . . . . 0.0 109.12 178.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.49 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 64.3 m-85 -133.87 101.07 4.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.704 -1.247 . . . . 0.0 109.975 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.556 HG21 HD12 ' A' ' 29' ' ' LEU . 26.4 mm -89.59 101.8 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.537 -0.727 . . . . 0.0 109.567 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.656 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 78.7 m -110.49 117.25 33.06 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.342 -0.848 . . . . 0.0 109.35 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.584 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -99.71 169.1 9.49 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.127 -0.983 . . . . 0.0 110.586 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.1 t -151.63 150.4 30.24 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.454 -0.779 . . . . 0.0 109.635 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.611 HD13 ' N ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -127.44 139.46 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.132 -0.98 . . . . 0.0 109.761 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.611 ' N ' HD13 ' A' ' 45' ' ' ILE . 7.2 m -138.21 106.09 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.328 -0.857 . . . . 0.0 110.1 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.15 -98.62 0.91 Allowed Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.5 p -125.63 12.03 7.96 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.566 -0.961 . . . . 0.0 110.739 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.591 HG23 HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -122.83 138.95 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.691 -1.256 . . . . 0.0 109.699 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.06 151.61 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.506 -0.746 . . . . 0.0 109.347 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.462 ' OG1' ' HG2' ' A' ' 69' ' ' MET . 40.4 p -140.65 145.72 36.96 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.124 -0.985 . . . . 0.0 110.461 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -103.12 146.05 28.98 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.343 -0.848 . . . . 0.0 109.849 179.428 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -113.23 115.81 3.77 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.916 -1.273 . . . . 0.0 109.916 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -96.24 74.59 2.94 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 122.248 1.023 . . . . 0.0 110.416 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.499 ' HA2' HG12 ' A' ' 60' ' ' VAL . . . -98.44 123.09 7.75 Favored Glycine 0 N--CA 1.498 2.77 0 O-C-N 120.37 -1.456 . . . . 0.0 110.366 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -80.74 63.71 5.25 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.961 -1.317 . . . . 0.0 109.365 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.35 154.14 6.2 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.49 ' HE2' ' CZ ' ' A' ' 40' ' ' PHE . 25.3 mmtt -52.2 -54.4 31.44 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.311 -1.111 . . . . 0.0 110.462 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -39.86 84.5 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.96 -1.088 . . . . 0.0 110.963 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.499 HG12 ' HA2' ' A' ' 55' ' ' GLY . 14.3 t -73.18 -32.85 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 O-C-N 121.01 -1.056 . . . . 0.0 110.836 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 62' ' ' LYS . 91.1 p -54.71 -76.94 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.267 -0.895 . . . . 0.0 111.352 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.427 ' N ' ' OG ' ' A' ' 61' ' ' SER . 42.0 mttt -50.53 -32.12 17.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.258 -0.901 . . . . 0.0 110.239 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.612 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -69.05 -66.68 0.55 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.055 -1.028 . . . . 0.0 109.018 178.835 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -49.49 -38.84 31.64 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.438 -0.789 . . . . 0.0 110.087 179.652 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -64.53 -49.67 70.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.453 -0.779 . . . . 0.0 109.571 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.48 81.1 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.216 -0.927 . . . . 0.0 110.724 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 2.9 mt-10 -52.15 -54.61 28.57 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.173 -0.955 . . . . 0.0 109.481 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -46.11 66.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.72 -0.613 . . . . 0.0 109.42 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.609 ' HE1' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -61.98 -54.82 36.31 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.407 -0.808 . . . . 0.0 109.418 179.39 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.812 HD21 HG22 ' A' ' 13' ' ' VAL . 51.4 mt -57.6 -47.08 83.11 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.045 -1.034 . . . . 0.0 110.717 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 67' ' ' GLU . 56.0 t -51.37 -42.24 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.344 -0.848 . . . . 0.0 110.455 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.466 ' OE2' ' NZ ' ' A' ' 75' ' ' LYS . 14.0 mm-40 -86.5 -49.63 7.44 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.023 -1.048 . . . . 0.0 109.708 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 69' ' ' MET . 9.6 mp -55.76 -29.14 59.11 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.21 -0.931 . . . . 0.0 110.793 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 14.7 mt-30 -86.72 -15.7 38.69 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.173 -0.955 . . . . 0.0 109.778 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.466 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 15.3 ttpt -98.09 -24.4 15.33 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.311 -0.868 . . . . 0.0 109.862 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.488 1.448 0 O-C-N 121.529 -0.732 . . . . 0.0 110.65 -179.128 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.532 ' N7 ' " H1'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.242 0 O4'-C1'-N19 110.918 2.718 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.532 " H1'" ' N7 ' ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.139 0 C5'-C4'-C3' 111.076 -2.95 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.466 ' H8 ' " O5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.12 0 C5'-C4'-C3' 111.182 -2.879 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.249 0 O4'-C1'-N19 111.175 2.975 . 0.252 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.935 0 O4'-C1'-N19 111.02 2.82 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.13 0 C5'-C4'-C3' 111.447 -2.702 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.033 0 O4'-C1'-N19 111.117 2.917 . 0.049 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.56 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.914 0 C5'-C4'-C3' 111.308 -2.795 . 0.276 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . 0.458 " H2'" ' C6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.944 0 C5'-C4'-C3' 111.333 -2.778 . 0.081 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.624 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.123 0 C5'-C4'-C3' 111.227 -2.848 . 0.325 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.937 0 C5'-C4'-C3' 111.303 -2.798 . 0.013 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.455 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.994 0 O4'-C1'-N19 111.227 3.027 . 0.025 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.612 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.136 0 O4'-C1'-N19 110.941 2.741 . 0.025 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C3'-C2'-C1' 104.488 3.32 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.849 0 C5'-C4'-C3' 111.124 -2.917 . 0.051 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.452 " H5'" ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.145 0 C5'-C4'-C3' 111.333 -2.778 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.5 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 C5'-C4'-C3' 111.336 -2.776 . 0.01 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.67 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.248 0 O4'-C1'-N19 110.981 2.781 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.67 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.271 0 C5'-C4'-C3' 111.122 -2.919 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.42 " H2'" ' N3 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.346 0 C5'-C4'-C3' 111.283 -2.811 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.979 0 C5'-C4'-C3' 111.272 -2.819 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.03 0 O4'-C1'-N19 111.27 3.07 . 0.212 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.088 0 C5'-C4'-C3' 111.295 -2.804 . 0.105 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . 0.407 " H2'" ' C6 ' ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.197 0 O4'-C1'-N19 110.9 2.7 . 0.04 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.407 ' C6 ' " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.215 0 O4'-C1'-N19 111.045 2.845 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.971 0 O4'-C1'-N19 111.037 2.837 . 0.274 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.416 " H2'" ' C6 ' ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.099 0 O4'-C1'-N19 111.092 2.892 . 0.053 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.551 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.103 0 O4'-C1'-N19 111.196 2.996 . 0.318 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.551 ' C6 ' " H2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.019 0 C5'-C4'-C3' 110.821 -3.119 . 0.197 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.472 ' H6 ' " O5'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.059 0 O4'-C1'-N19 111.173 2.973 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.478 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 1.7 mmt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.447 ' OD2' ' NZ ' ' A' ' 6' ' ' LYS . 2.3 m-20 58.87 57.66 3.53 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.706 0.765 . . . . 0.0 109.455 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' OE2' ' N ' ' A' ' 1' ' ' MET . 4.6 mp0 -68.84 61.49 0.1 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.378 -0.826 . . . . 0.0 111.446 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.63 155.99 7.83 Favored Glycine 0 N--CA 1.5 2.936 0 O-C-N 120.742 -1.224 . . . . 0.0 110.182 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.48 154.66 41.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.216 -1.167 . . . . 0.0 109.131 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' NZ ' ' OD2' ' A' ' 2' ' ' ASP . 12.0 mptt -74.57 65.22 1.27 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.782 -1.198 . . . . 0.0 108.512 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 14.9 tptt -46.91 103.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.703 -0.623 . . . . 0.0 111.236 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.501 ' OG ' ' NZ ' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -158.93 78.38 3.04 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.615 -0.678 . . . . 0.0 109.322 179.745 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.673 ' HG3' ' HG3' ' A' ' 67' ' ' GLU . 34.4 Cg_endo -74.17 66.53 5.23 Favored 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 122.322 2.014 . . . . 0.0 110.874 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.638 HD11 ' O ' ' A' ' 62' ' ' LYS . 88.3 mt -124.0 -60.21 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.387 -0.821 . . . . 0.0 109.218 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.404 ' HB2' ' OE2' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -52.19 -67.2 0.27 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.545 -0.722 . . . . 0.0 109.947 179.623 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.96 -39.61 12.74 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.262 -0.899 . . . . 0.0 110.454 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.042 HG22 HD21 ' A' ' 70' ' ' LEU . 69.2 t -64.08 -46.3 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.048 -1.032 . . . . 0.0 108.717 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' HB3' ' C8 ' ' B' ' 17' ' ' ' G' . 9.7 m-70 -64.1 -37.8 88.74 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 4.6 mt-10 -63.76 -55.49 22.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.705 -0.622 . . . . 0.0 109.613 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.1 pt -65.76 -33.18 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.858 -1.151 . . . . 0.0 109.437 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.53 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -64.84 -54.22 29.57 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 178.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.485 HG13 ' C8 ' ' B' ' 17' ' ' ' G' . 22.5 mm -62.32 -47.69 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.349 -1.089 . . . . 0.0 109.412 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' HG3' " H1'" ' B' ' 15' ' ' ' U' . 2.5 mmtp -58.66 -36.22 73.81 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.329 -0.857 . . . . 0.0 110.536 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -96.39 18.75 13.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.995 -1.066 . . . . 0.0 110.721 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 55.69 34.83 24.09 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.069 -1.019 . . . . 0.0 110.089 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.53 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 29.2 mtp -105.55 111.6 24.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 0.0 109.609 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -63.04 95.57 0.08 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.354 -0.841 . . . . 0.0 110.392 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.1 t -85.08 108.33 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.287 -0.883 . . . . 0.0 109.177 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.486 ' HB2' HG22 ' A' ' 45' ' ' ILE . 7.9 m-70 -130.06 124.71 33.49 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.999 -1.063 . . . . 0.0 110.33 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 39.4 m-85 -112.65 125.0 53.81 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.346 -0.846 . . . . 0.0 109.193 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.92 114.21 6.27 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.045 -1.034 . . . . 0.0 110.563 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.743 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 6.6 p -79.21 155.21 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.926 -1.109 . . . . 0.0 109.507 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' A' ' 29' ' ' LEU . 3.1 mt -71.34 -33.01 69.23 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.559 ' HD2' ' SD ' ' A' ' 37' ' ' MET . 2.2 ttp180 71.79 63.15 0.14 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.18 0.991 . . . . 0.0 108.844 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' OE2' ' HB3' ' A' ' 40' ' ' PHE . 2.4 mp0 -67.3 -75.82 0.09 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.731 -0.606 . . . . 0.0 110.425 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.631 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -67.48 160.7 27.02 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.369 -0.832 . . . . 0.0 110.325 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' HA2' ' HG3' ' A' ' 37' ' ' MET . . . -171.47 63.6 0.15 Allowed Glycine 0 N--CA 1.5 2.947 0 O-C-N 121.029 -1.044 . . . . 0.0 111.622 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 33' ' ' GLY . 36.2 Cg_endo -78.56 -48.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.316 -1.154 0 C-N-CA 122.402 2.068 . . . . 0.0 110.401 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.12 -66.73 0.51 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.87 164.93 11.33 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.157 -0.964 . . . . 0.0 108.642 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.559 ' SD ' ' HD2' ' A' ' 30' ' ' ARG . 5.1 mtm -143.27 83.71 1.79 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.794 -1.191 . . . . 0.0 110.549 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.51 ' CE ' H5'' ' B' ' 4' ' ' ' C' . 15.9 mtmt -140.37 57.07 1.59 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.892 -1.13 . . . . 0.0 111.359 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.489 ' O ' HG21 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -167.49 -172.02 1.83 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.592 -1.317 . . . . 0.0 111.124 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.631 ' CZ ' ' HB2' ' A' ' 32' ' ' GLU . 6.8 m-85 89.58 -161.57 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.446 0 CA-C-O 121.516 0.674 . . . . 0.0 111.962 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 3.2 mt -65.45 91.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.352 -0.842 . . . . 0.0 111.004 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.763 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 1.1 m -77.54 120.03 21.94 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.987 -1.07 . . . . 0.0 108.344 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.45 120.79 34.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 109.223 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.603 ' SG ' ' HG3' ' A' ' 69' ' ' MET . 25.5 p -129.94 153.64 48.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.882 -1.136 . . . . 0.0 110.831 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.486 HG22 ' HB2' ' A' ' 25' ' ' HIS . 19.9 tt -134.79 150.87 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.475 -0.766 . . . . 0.0 109.401 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' THR . 72.5 t -137.59 93.54 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.186 -0.946 . . . . 0.0 109.061 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 -93.24 0.51 Allowed Glycine 0 N--CA 1.499 2.842 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.82 8.36 10.53 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.361 -1.082 . . . . 0.0 110.797 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.8 mt -112.92 137.25 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 120.894 -1.129 . . . . 0.0 109.758 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.81 147.05 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.11 -0.994 . . . . 0.0 109.625 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.4 HG21 ' HG3' ' A' ' 68' ' ' LYS . 16.8 m -153.5 127.43 8.93 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.307 -0.871 . . . . 0.0 109.396 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' HA ' ' O ' ' A' ' 42' ' ' THR . 9.3 pt-20 -126.34 170.1 12.26 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.005 -1.06 . . . . 0.0 109.857 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 54' ' ' GLU . . . 126.59 -79.18 0.37 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.763 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 0.9 OUTLIER 65.08 -85.05 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.706 -0.879 . . . . 0.0 110.141 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.73 -175.8 40.65 Favored Glycine 0 N--CA 1.501 3.012 0 C-N-CA 119.949 -1.12 . . . . 0.0 110.787 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.49 82.62 1.74 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.107 -1.231 . . . . 0.0 109.974 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.9 179.11 47.87 Favored Glycine 0 N--CA 1.498 2.797 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.632 ' HE2' " O2'" ' B' ' 2' ' ' ' G' . 0.0 OUTLIER -81.9 11.8 4.67 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.147 -1.208 . . . . 0.0 111.077 -179.76 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -115.52 17.71 16.24 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.607 -1.308 . . . . 0.0 109.993 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.595 ' O ' ' CB ' ' A' ' 61' ' ' SER . 11.3 m -150.06 -170.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.266 -0.896 . . . . 0.0 109.695 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 7.3 t 100.73 120.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 121.832 0.825 . . . . 0.0 110.462 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.638 ' O ' HD11 ' A' ' 10' ' ' ILE . 7.1 tttm 53.54 45.17 28.74 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 122.38 1.086 . . . . 0.0 108.19 -178.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.668 ' HG3' ' HD2' ' A' ' 9' ' ' PRO . 4.5 ttmt -175.79 -47.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.591 ' CB ' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -60.58 -57.42 12.79 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.035 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . . . -60.38 -40.76 92.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.452 -0.78 . . . . 0.0 109.092 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.31 -51.84 68.23 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.364 -0.835 . . . . 0.0 109.595 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.673 ' HG3' ' HG3' ' A' ' 9' ' ' PRO . 1.6 mt-10 -56.17 -42.04 76.41 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.434 -0.791 . . . . 0.0 109.107 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.55 ' O ' HG12 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.19 -42.09 93.94 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.576 -0.702 . . . . 0.0 109.241 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.603 ' HG3' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -65.54 -50.81 63.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.174 -0.954 . . . . 0.0 109.693 179.643 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.042 HD21 HG22 ' A' ' 13' ' ' VAL . 12.6 mt -51.39 -47.88 62.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.342 -0.848 . . . . 0.0 110.298 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 68' ' ' LYS . 8.1 p -69.48 -18.37 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.329 0 O-C-N 120.994 -1.066 . . . . 0.0 110.621 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -91.2 -56.16 3.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.677 -1.264 . . . . 0.0 110.133 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.22 -26.67 68.23 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.083 -1.011 . . . . 0.0 111.075 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 29.7 mt-30 -77.73 8.98 3.8 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.717 -1.24 . . . . 0.0 109.839 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.49 -9.5 15.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.0 110.251 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.222 -179.524 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.434 1.651 0 O4'-C1'-N19 111.429 3.229 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.632 " O2'" ' HE2' ' A' ' 58' ' ' LYS . . . . . . . . 0 P--O5' 1.616 2.29 0 C5'-C4'-C3' 111.012 -2.992 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.564 " O2'" " H5'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.092 0 O4'-C1'-N19 111.159 2.959 . 0.225 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.564 " H5'" " O2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 C5'-C4'-C3' 110.96 -3.026 . 0.163 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.092 0 O4'-C1'-N19 111.079 2.879 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.926 0 O4'-C1'-N19 110.927 2.727 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.924 0 O4'-C1'-N19 111.105 2.905 . 0.305 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.062 0 C5'-C4'-C3' 111.2 -2.867 . 0.333 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.121 0 O4'-C1'-N19 111.169 2.969 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.967 0 C5'-C4'-C3' 111.275 -2.817 . 0.13 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.677 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.097 0 O4'-C1'-N19 111.12 2.92 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.677 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.996 0 O4'-C1'-N19 111.135 2.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.655 " H2'" " O4'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.145 0 O4'-C1'-N19 111.894 3.694 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.687 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C3'-C2'-C1' 104.663 3.515 . 0.192 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.501 " H1'" ' HG3' ' A' ' 19' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.881 0 O4'-C1'-N19 111.45 3.25 . 0.075 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.687 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.079 0 C5'-C4'-C3' 111.164 -2.89 . 0.674 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.776 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.124 0 C5'-C4'-C3' 111.203 -2.864 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.776 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.172 0 O4'-C1'-N19 111.091 2.891 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.082 0 C5'-C4'-C3' 111.084 -2.944 . 0.014 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.905 0 C5'-C4'-C3' 111.382 -2.745 . 0.285 1f . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.914 0 C5'-C4'-C3' 111.288 -2.808 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.984 0 O4'-C1'-N19 111.064 2.864 . 0.245 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.195 0 C5'-C4'-C3' 111.292 -2.805 . 0.087 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.055 0 O4'-C1'-N19 111.094 2.894 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.01 0 C5'-C4'-C3' 111.207 -2.862 . 0.272 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.21 0 C5'-C4'-C3' 111.159 -2.894 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.083 0 C5'-C4'-C3' 111.335 -2.777 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.468 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.21 0 O4'-C1'-N19 111.056 2.856 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.607 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.122 0 C5'-C4'-C3' 110.983 -3.011 . 0.211 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.487 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.538 0 C5'-C4'-C3' 111.377 -2.749 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 51.06 48.66 22.66 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.263 1.03 . . . . 0.0 109.108 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.562 ' HG2' ' HE3' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -77.4 150.96 35.01 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.427 -0.796 . . . . 0.0 110.975 -178.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.73 -150.33 5.06 Favored Glycine 0 N--CA 1.5 2.934 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.414 ' OD2' ' NZ ' ' A' ' 63' ' ' LYS . 3.5 p-10 -74.47 93.91 2.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.723 -1.457 . . . . 0.0 109.495 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HE3' ' HG2' ' A' ' 3' ' ' GLU . 15.2 mttt -73.28 60.24 0.59 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.868 -1.145 . . . . 0.0 110.139 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -175.28 111.47 0.12 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.195 -0.94 . . . . 0.0 109.609 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.21 115.16 10.39 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.2 -0.938 . . . . 0.0 109.744 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.619 ' O ' HG23 ' A' ' 13' ' ' VAL . 30.7 Cg_endo -71.32 -60.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 122.287 1.991 . . . . 0.0 111.148 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.407 HD11 ' CG ' ' A' ' 62' ' ' LYS . 18.5 mt -55.93 -51.92 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.081 -1.012 . . . . 0.0 109.391 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -54.76 -50.15 69.13 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.192 -0.943 . . . . 0.0 109.706 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -53.78 -46.62 71.08 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.18 -0.95 . . . . 0.0 110.303 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.733 ' HA ' HD21 ' A' ' 70' ' ' LEU . 14.2 t -60.2 -44.47 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.013 -1.054 . . . . 0.0 109.194 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.515 ' HA ' HG21 ' A' ' 24' ' ' VAL . 36.3 m80 -64.77 -40.96 96.14 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.222 -0.924 . . . . 0.0 108.74 178.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.658 ' OE1' " H5'" ' B' ' 16' ' ' ' C' . 5.0 mm-40 -62.98 -51.88 65.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.706 -0.621 . . . . 0.0 110.433 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.511 HG12 ' HA ' ' A' ' 13' ' ' VAL . 4.0 pt -58.06 -32.46 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.702 -1.249 . . . . 0.0 110.077 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.481 ' N ' HG13 ' A' ' 16' ' ' ILE . . . -77.82 -44.03 13.22 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.7 mt -72.41 -42.12 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.398 -1.06 . . . . 0.0 110.207 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -56.7 -33.31 66.34 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.246 -0.909 . . . . 0.0 110.469 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 5.5 mtp180 -96.44 -73.64 0.59 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.373 -0.83 . . . . 0.0 109.216 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 20' ' ' ARG . 3.5 p30 167.11 52.31 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.431 -0.793 . . . . 0.0 109.753 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mtt -138.07 125.1 21.38 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.85 -1.156 . . . . 0.0 110.776 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.436 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.84 124.51 23.15 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.261 -0.899 . . . . 0.0 109.386 179.176 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.704 HG22 HG23 ' A' ' 46' ' ' VAL . 23.2 t -106.59 120.59 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.188 -0.945 . . . . 0.0 109.705 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.72 ' HB2' HG22 ' A' ' 45' ' ' ILE . 23.5 m-70 -133.64 125.56 28.97 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.104 -0.998 . . . . 0.0 110.197 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 8.5 m-85 -114.0 146.5 40.07 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.357 -0.839 . . . . 0.0 109.501 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -167.2 146.73 5.26 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.922 -1.111 . . . . 0.0 110.628 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 49.9 t -88.0 151.6 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.125 -0.984 . . . . 0.0 108.907 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.696 HD21 ' CB ' ' A' ' 43' ' ' ALA . 1.8 mt -99.51 -33.79 10.51 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.007 -1.058 . . . . 0.0 110.222 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.73 105.25 3.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.973 -1.079 . . . . 0.0 111.208 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.525 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 2.0 pt-20 -113.84 -167.31 1.19 Allowed 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.583 ' HB3' ' HB2' ' A' ' 36' ' ' HIS . 1.7 tp10 -72.9 -168.82 0.51 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.876 -1.14 . . . . 0.0 110.112 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.58 -72.62 0.8 Allowed Glycine 0 N--CA 1.501 2.998 0 O-C-N 120.85 -1.156 . . . . 0.0 110.226 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' HIS . 37.0 Cg_endo -80.35 52.05 4.17 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 122.372 2.048 . . . . 0.0 110.465 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 65.99 -64.58 0.2 Allowed 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.361 -0.837 . . . . 0.0 109.921 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 32' ' ' GLU . 1.0 OUTLIER 51.33 63.5 2.22 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.238 -0.914 . . . . 0.0 110.071 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.422 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 2.8 mtt 61.29 84.54 0.13 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.31 -0.869 . . . . 0.0 109.277 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.601 ' O ' ' NZ ' ' A' ' 62' ' ' LYS . 4.9 mtmt -44.78 97.17 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.632 -0.668 . . . . 0.0 111.342 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 56' ' ' ASN . 70.0 m-80 -144.44 -135.39 0.09 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.978 -1.076 . . . . 0.0 109.654 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.525 ' CD2' ' HA ' ' A' ' 31' ' ' GLU . 62.4 m-85 62.97 -151.99 0.34 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.912 -1.117 . . . . 0.0 109.749 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.569 ' CG2' HD12 ' A' ' 29' ' ' LEU . 2.1 mp -57.2 108.29 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 120.772 -1.205 . . . . 0.0 110.363 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 92.4 m -109.34 141.84 41.1 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.338 -0.852 . . . . 0.0 109.206 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.696 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -125.11 155.32 40.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.193 -0.942 . . . . 0.0 109.809 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.422 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 1.7 p -147.09 146.86 30.1 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.284 -0.885 . . . . 0.0 110.325 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.72 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.1 tt -127.66 142.61 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.362 -0.837 . . . . 0.0 109.221 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 24' ' ' VAL . 9.9 p -138.19 108.31 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.415 -0.803 . . . . 0.0 109.957 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.2 -92.37 0.05 OUTLIER Glycine 0 N--CA 1.503 3.111 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.1 t -126.76 20.92 7.06 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.336 -1.096 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -126.05 129.37 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.999 -1.063 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.646 HG22 HG13 ' A' ' 45' ' ' ILE . 1.7 t -113.17 150.98 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.059 -1.026 . . . . 0.0 108.757 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 m -150.59 162.8 39.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.967 -1.083 . . . . 0.0 110.529 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -120.71 169.62 10.22 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.695 0.759 . . . . 0.0 110.788 -179.183 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.13 97.13 0.13 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -72.13 77.37 0.96 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.449 -1.03 . . . . 0.0 108.898 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.712 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -85.66 131.11 10.27 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.431 ' O ' HG12 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -72.04 -160.84 0.07 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.348 -1.089 . . . . 0.0 110.206 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.7 -153.57 1.59 Allowed Glycine 0 N--CA 1.5 2.937 0 O-C-N 120.974 -1.079 . . . . 0.0 110.631 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 86.8 mttt 61.55 9.85 2.95 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.292 -1.122 . . . . 0.0 111.118 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.5 mtmp? 73.18 7.64 5.3 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.354 -0.841 . . . . 0.0 110.703 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 61' ' ' SER . 9.7 p -56.54 -42.16 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 O-C-N 121.186 -0.946 . . . . 0.0 110.519 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.712 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -48.89 -41.27 32.86 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.726 -0.609 . . . . 0.0 111.549 -179.175 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.601 ' NZ ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -69.71 -17.42 63.46 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.893 -1.13 . . . . 0.0 110.61 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 1.3 mptt -98.36 -64.62 1.02 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.083 -1.011 . . . . 0.0 109.472 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 -51.58 -39.2 57.45 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.457 -0.777 . . . . 0.0 111.278 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.01 68.49 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.812 -1.18 . . . . 0.0 108.859 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.489 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -63.77 -37.53 87.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.439 -0.788 . . . . 0.0 109.544 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 71' ' ' VAL . 35.0 mt-10 -55.88 -52.87 62.56 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.285 -0.884 . . . . 0.0 109.577 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 14.8 ttmt -55.48 -46.77 76.84 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.426 -0.796 . . . . 0.0 110.104 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.1 ttt -67.41 -47.05 71.41 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.086 -1.009 . . . . 0.0 110.541 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.733 HD21 ' HA ' ' A' ' 13' ' ' VAL . 39.7 mt -63.26 -38.6 91.8 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.062 -1.024 . . . . 0.0 109.839 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 67' ' ' GLU . 53.7 t -58.73 -48.36 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.108 -0.995 . . . . 0.0 109.172 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' NZ ' ' A' ' 75' ' ' LYS . 47.8 mm-40 -70.89 -48.34 54.26 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.285 -0.884 . . . . 0.0 109.658 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -58.01 -37.16 73.8 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.062 -1.024 . . . . 0.0 110.435 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -68.65 -7.01 29.27 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.167 -0.958 . . . . 0.0 109.714 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' NZ ' ' OE1' ' A' ' 72' ' ' GLU . 12.7 ttmt -91.9 -9.52 42.92 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.411 -0.806 . . . . 0.0 109.783 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.287 -0.883 . . . . 0.0 110.932 -179.066 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.906 0 C5'-C4'-C3' 111.077 -2.948 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.024 0 C5'-C4'-C3' 111.242 -2.838 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.423 ' N1 ' ' N3 ' ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.091 0 C5'-C4'-C3' 111.254 -2.831 . 0.234 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.344 0 O4'-C1'-N19 111.446 3.246 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.153 0 O4'-C1'-N19 110.957 2.757 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.163 0 O4'-C1'-N19 110.972 2.772 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.518 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.941 0 O4'-C1'-N19 111.121 2.921 . 0.192 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.518 ' C6 ' " H2'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.116 0 C5'-C4'-C3' 111.274 -2.817 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.05 0 C5'-C4'-C3' 111.214 -2.857 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.973 0 C5'-C4'-C3' 111.069 -2.954 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.758 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.095 0 C5'-C4'-C3' 111.355 -2.763 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.758 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.871 0 O4'-C1'-N19 111.12 2.92 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.699 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.044 0 O4'-C1'-N19 111.869 3.669 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.699 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C3'-C2'-C1' 104.489 3.321 . 0.375 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.067 0 C5'-C4'-C3' 111.684 -2.544 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.658 " H5'" ' OE1' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.612 1.93 0 C5'-C4'-C3' 111.141 -2.906 . 0.044 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.995 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 O4'-C1'-N19 111.232 3.032 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.995 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.227 0 C5'-C4'-C3' 111.312 -2.792 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.9 0 C5'-C4'-C3' 111.115 -2.923 . 0.155 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.172 0 C5'-C4'-C3' 110.993 -3.005 . 0.026 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.565 " O5'" ' H8 ' ' B' ' 21' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.094 0 C5'-C4'-C3' 111.11 -2.927 . 0.015 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.962 0 C5'-C4'-C3' 111.104 -2.931 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.018 0 O4'-C1'-N19 111.066 2.866 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.151 0 O4'-C1'-N19 111.198 2.998 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.428 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.062 0 O4'-C1'-N19 111.149 2.949 . 0.46 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.428 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.056 0 O4'-C1'-N19 111.007 2.807 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 O4'-C1'-N19 111.278 3.078 . 0.031 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.423 ' N3 ' ' N1 ' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.076 0 C5'-C4'-C3' 111.198 -2.868 . 0.139 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.079 0 O4'-C1'-N19 111.146 2.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 O4'-C1'-N19 111.046 2.846 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.405 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 10.9 mtt . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.1 -52.44 2.76 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.405 ' OE2' ' N ' ' A' ' 1' ' ' MET . 3.5 mp0 58.05 -166.52 0.15 Allowed 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.647 0.737 . . . . 0.0 111.148 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.17 166.62 17.59 Favored Glycine 0 N--CA 1.5 2.961 0 O-C-N 120.626 -1.297 . . . . 0.0 110.185 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 63' ' ' LYS . 29.1 t0 -53.25 116.81 2.61 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.516 -0.991 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -161.55 58.47 0.27 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.23 -0.919 . . . . 0.0 110.233 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -58.22 -63.39 1.28 Allowed 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.047 -1.033 . . . . 0.0 110.348 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.88 111.34 63.07 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 120.977 -1.077 . . . . 0.0 109.723 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.434 ' HB2' ' HG3' ' A' ' 12' ' ' GLN . 35.6 Cg_endo -77.02 98.15 1.2 Allowed 'Trans proline' 0 C--N 1.314 -1.255 0 C-N-CA 122.681 2.254 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.543 ' O ' HG12 ' A' ' 13' ' ' VAL . 95.4 mt -53.68 -51.71 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.209 -0.932 . . . . 0.0 110.352 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -39.84 65.63 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.922 -1.111 . . . . 0.0 109.968 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.669 ' HA ' ' HG2' ' A' ' 15' ' ' GLU . 4.6 mt-30 -64.5 -50.16 68.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.514 -0.741 . . . . 0.0 109.778 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.95 HG23 HD21 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -59.24 -39.44 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.54 -1.35 . . . . 0.0 108.557 178.857 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.491 ' HA ' HG11 ' A' ' 24' ' ' VAL . 6.8 m-70 -63.41 -52.83 59.92 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.669 ' HG2' ' HA ' ' A' ' 12' ' ' GLN . 3.6 pt-20 -61.06 -40.83 95.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.359 -0.838 . . . . 0.0 110.162 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.665 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 34.0 mm -68.41 -47.98 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 120.915 -1.115 . . . . 0.0 109.709 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.438 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -61.59 -51.95 54.23 Favored Glycine 0 N--CA 1.499 2.892 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.438 HG21 H5'' ' B' ' 16' ' ' ' C' . 41.8 mm -59.72 -47.7 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.392 -1.063 . . . . 0.0 109.446 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -55.77 -37.94 69.22 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.191 -0.943 . . . . 0.0 109.754 179.235 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -84.49 20.8 1.61 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.247 -0.908 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.78 29.94 16.71 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.96 -1.087 . . . . 0.0 110.516 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.1 mtm -113.71 126.48 55.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.885 -1.134 . . . . 0.0 109.751 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.424 ' CG2' ' HE1' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -65.84 122.43 17.31 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.13 -0.981 . . . . 0.0 109.669 179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 14' ' ' HIS . 20.4 t -115.05 107.1 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.244 -0.91 . . . . 0.0 109.644 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.529 ' HB2' HG22 ' A' ' 45' ' ' ILE . 62.4 m80 -122.23 132.47 54.45 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.16 -0.962 . . . . 0.0 109.704 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -128.25 91.26 3.22 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.29 -0.881 . . . . 0.0 110.007 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 28' ' ' VAL . 1.4 ttpt -120.44 120.99 37.51 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.157 -0.964 . . . . 0.0 110.366 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.4 p -70.32 154.34 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 120.869 -1.144 . . . . 0.0 109.929 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.019 HD21 ' HB2' ' A' ' 43' ' ' ALA . 13.4 mt -91.22 -64.4 1.13 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.971 -1.081 . . . . 0.0 109.31 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.72 -172.85 0.23 Allowed 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.228 0.537 . . . . 0.0 109.924 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -82.64 160.24 22.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.363 -0.836 . . . . 0.0 110.442 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 39' ' ' ASN . 15.4 mt-10 -98.09 54.63 1.12 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.113 -0.992 . . . . 0.0 109.717 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.09 173.23 14.02 Favored Glycine 0 N--CA 1.5 2.952 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -74.16 -84.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.249 1.966 . . . . 0.0 112.259 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.72 -41.1 3.09 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.562 -1.336 . . . . 0.0 111.362 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 36' ' ' HIS . 17.1 p80 -72.22 56.93 0.35 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.975 -1.078 . . . . 0.0 111.094 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -179.27 -55.05 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.973 -1.079 . . . . 0.0 110.31 179.43 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.529 ' HE2' " O4'" ' B' ' 3' ' ' ' A' . 1.5 tttt 49.57 29.07 2.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.584 -0.698 . . . . 0.0 111.874 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 32' ' ' GLU . 1.1 t30 -92.14 161.4 14.76 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.892 -1.13 . . . . 0.0 108.881 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -144.48 117.54 8.88 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.014 -1.054 . . . . 0.0 110.872 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 mm -85.85 124.0 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.008 -1.058 . . . . 0.0 109.256 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 34.4 m -100.62 146.24 27.39 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.21 -0.931 . . . . 0.0 109.396 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 1.019 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -118.35 121.44 40.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.835 -1.166 . . . . 0.0 109.779 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 6.5 p -134.83 152.2 51.56 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.961 -1.087 . . . . 0.0 109.094 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.758 HG13 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -133.06 136.24 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.127 -0.983 . . . . 0.0 109.756 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.732 HG12 ' HE2' ' A' ' 69' ' ' MET . 4.8 p -168.88 131.64 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.687 -0.633 . . . . 0.0 109.637 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.31 -101.34 0.08 OUTLIER Glycine 0 N--CA 1.5 2.932 0 N-CA-C 110.241 -1.143 . . . . 0.0 110.241 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 t -120.82 14.97 11.73 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.374 -1.074 . . . . 0.0 110.82 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.574 HD11 ' HG3' ' A' ' 72' ' ' GLU . 41.8 mm -108.52 144.85 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 120.928 -1.107 . . . . 0.0 110.236 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.758 HG22 HG13 ' A' ' 45' ' ' ILE . 45.4 t -134.37 163.39 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.82 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 39.8 p 28.17 -94.53 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 mm-40 44.32 20.61 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 177.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.471 ' HA3' ' HB ' ' A' ' 42' ' ' THR . . . -86.88 84.54 1.56 Allowed Glycine 0 N--CA 1.499 2.887 0 O-C-N 120.504 -1.372 . . . . 0.0 110.885 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -87.88 74.12 9.07 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.165 -1.197 . . . . 0.0 110.206 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.759 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -82.61 124.62 6.58 Favored Glycine 0 N--CA 1.501 3.001 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' HA ' ' OD1' ' A' ' 39' ' ' ASN . 11.8 m-80 -91.8 24.21 3.27 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.102 -1.234 . . . . 0.0 111.185 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 59' ' ' LYS . . . 66.11 -48.3 0.18 Allowed Glycine 0 N--CA 1.506 3.356 0 O-C-N 120.841 -1.162 . . . . 0.0 111.814 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' ASN . 19.4 mtpt -53.33 82.05 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.438 -1.036 . . . . 0.0 111.972 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 55.36 21.39 4.18 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.368 -0.832 . . . . 0.0 111.437 178.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.517 ' CG2' ' HB2' ' A' ' 64' ' ' ARG . 7.5 p -147.2 158.97 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.764 -1.21 . . . . 0.0 111.266 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.759 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 1.9 m 170.92 -86.91 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -45.76 86.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.216 -0.928 . . . . 0.0 108.822 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 70.6 mttt -50.98 -61.84 1.98 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.718 -0.614 . . . . 0.0 109.793 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.517 ' HB2' ' CG2' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -47.74 -47.48 30.24 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.625 -0.672 . . . . 0.0 110.49 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.88 83.61 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.184 -0.947 . . . . 0.0 109.144 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.2 85.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.338 -0.851 . . . . 0.0 110.255 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.41 -42.88 70.97 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.206 -0.934 . . . . 0.0 109.442 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' HG12 ' A' ' 71' ' ' VAL . 12.3 ttmt -63.46 -40.28 96.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.439 -0.788 . . . . 0.0 109.325 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.732 ' HE2' HG12 ' A' ' 46' ' ' VAL . 5.9 mtt -68.21 -43.39 78.15 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.219 -0.926 . . . . 0.0 109.876 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.95 HD21 HG23 ' A' ' 13' ' ' VAL . 32.3 mt -59.92 -52.39 65.6 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.156 -0.965 . . . . 0.0 110.361 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 68' ' ' LYS . 12.1 p -56.68 -34.56 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.053 -1.029 . . . . 0.0 109.747 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG3' HD11 ' A' ' 49' ' ' ILE . 2.9 tm-20 -73.09 -57.82 3.75 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.233 -0.917 . . . . 0.0 109.329 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.6 mt -56.22 -28.44 58.36 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.282 -0.886 . . . . 0.0 110.308 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -87.43 9.96 19.06 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.088 -1.007 . . . . 0.0 109.681 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -115.49 -15.9 11.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.269 -0.895 . . . . 0.0 110.685 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.307 -179.649 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.449 ' N7 ' " H1'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.923 0 O4'-C1'-N19 111.287 3.087 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.449 " H1'" ' N7 ' ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 110.979 2.779 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.538 " H2'" " O4'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.212 0 C5'-C4'-C3' 111.241 -2.839 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.538 " O4'" " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.962 0 C5'-C4'-C3' 111.197 -2.868 . 0.02 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.02 0 O4'-C1'-N19 110.987 2.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.05 0 O4'-C1'-N19 110.932 2.732 . 0.227 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.412 ' H6 ' " O5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.195 0 O4'-C1'-N19 111.105 2.905 . 0.143 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.42 " H2'" ' C8 ' ' B' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.987 0 C5'-C4'-C3' 111.409 -2.728 . 0.14 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . 0.42 ' C8 ' " H2'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.121 0 C5'-C4'-C3' 111.388 -2.741 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.049 0 C5'-C4'-C3' 111.337 -2.776 . 0.361 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.589 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.079 0 C5'-C4'-C3' 111.27 -2.82 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.589 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.803 0 O4'-C1'-N19 110.983 2.783 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.013 0 O4'-C1'-N19 111.859 3.659 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.446 " H2'" ' C5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C3'-C2'-C1' 104.923 3.803 . 0.075 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.504 ' H6 ' ' OP1' ' B' ' 15' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.117 0 O4'-C1'-N19 111.272 3.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.446 ' C5 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.129 0 O4'-C1'-N19 111.257 3.057 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.641 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.078 0 O4'-C1'-N19 110.946 2.746 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.004 0 C5'-C4'-C3' 111.151 -2.899 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 C5'-C4'-C3' 110.65 -3.233 . 0.153 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.444 ' H21' " H1'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.968 0 C5'-C4'-C3' 111.005 -2.996 . 0.113 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.444 " H1'" ' H21' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.092 0 C5'-C4'-C3' 111.164 -2.891 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.554 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.929 0 C5'-C4'-C3' 111.121 -2.919 . 0.076 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.554 ' C8 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.001 0 O4'-C1'-N19 110.952 2.752 . 0.038 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.003 0 C5'-C4'-C3' 111.406 -2.729 . 0.383 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.026 0 O4'-C1'-N19 110.974 2.774 . 0.21 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.17 0 C5'-C4'-C3' 111.305 -2.797 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.912 0 C5'-C4'-C3' 111.422 -2.719 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.417 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.935 0 O4'-C1'-N19 111.095 2.895 . 0.245 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.505 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.041 0 O4'-C1'-N19 111.167 2.967 . 0.292 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.492 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.285 0 C5'-C4'-C3' 111.273 -2.818 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.496 1.85 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.4 140.96 51.17 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.017 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.67 160.07 16.6 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.224 -0.922 . . . . 0.0 111.211 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.02 -169.23 42.31 Favored Glycine 0 N--CA 1.495 2.608 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.419 ' C ' ' HE3' ' A' ' 6' ' ' LYS . 11.4 t0 -100.89 -177.75 3.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.175 -1.191 . . . . 0.0 110.447 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HE3' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -89.82 96.32 10.63 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.925 . . . . 0.0 109.447 -179.531 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -71.53 59.46 0.31 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.163 -0.961 . . . . 0.0 109.756 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.567 ' OG ' ' HB3' ' A' ' 11' ' ' SER . 0.3 OUTLIER -142.7 66.8 18.35 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.886 -1.134 . . . . 0.0 110.439 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.5 Cg_endo -74.4 -46.73 0.27 Allowed 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 122.139 1.893 . . . . 0.0 110.677 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.9 mt -94.69 -43.43 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.172 -0.955 . . . . 0.0 109.871 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.567 ' HB3' ' OG ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -49.81 -58.57 5.1 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.099 -1.0 . . . . 0.0 110.578 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -40.87 83.58 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.054 -1.029 . . . . 0.0 110.36 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.775 HG22 HD21 ' A' ' 70' ' ' LEU . 61.5 t -58.15 -42.29 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.813 -1.179 . . . . 0.0 108.61 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.651 ' HA ' HG21 ' A' ' 24' ' ' VAL . 35.2 m80 -66.88 -36.1 81.54 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -61.42 -54.18 46.94 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.586 -0.696 . . . . 0.0 109.906 178.691 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.572 HD13 HD13 ' A' ' 73' ' ' LEU . 1.2 pp -67.96 -38.57 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.196 -0.94 . . . . 0.0 109.675 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.642 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -62.15 -52.37 50.29 Favored Glycine 0 N--CA 1.5 2.94 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.55 HG21 ' N7 ' ' B' ' 17' ' ' ' G' . 48.0 mm -79.93 61.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 4.0 ttmt -167.71 -53.2 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.099 -1.001 . . . . 0.0 109.379 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.04 34.19 1.6 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.213 -0.929 . . . . 0.0 109.471 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 55.24 54.62 8.49 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.327 -0.858 . . . . 0.0 110.087 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.642 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 3.8 mtt -120.74 132.89 55.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.036 -1.04 . . . . 0.0 110.123 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.539 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -85.83 100.13 11.85 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.106 -0.996 . . . . 0.0 110.152 -179.619 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.651 HG21 ' HA ' ' A' ' 14' ' ' HIS . 61.5 t -71.42 96.29 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.915 -1.116 . . . . 0.0 109.126 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.793 ' HB2' HG22 ' A' ' 45' ' ' ILE . 3.8 m-70 -117.18 78.41 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.929 -1.107 . . . . 0.0 110.211 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CD1' ' HB2' ' A' ' 44' ' ' CYS . 5.1 m-85 -69.27 160.19 31.68 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.48 -0.762 . . . . 0.0 109.972 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -175.2 -179.81 1.4 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.114 -0.991 . . . . 0.0 110.151 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -132.49 152.19 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.115 -0.991 . . . . 0.0 108.887 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 43' ' ' ALA . 8.0 mt -94.39 -52.33 4.39 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.155 -0.966 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 176.37 133.04 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.76 -0.587 . . . . 0.0 110.272 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.604 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 2.2 pm0 -108.64 10.31 27.01 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.66 -0.65 . . . . 0.0 110.021 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.613 ' HB3' ' HD2' ' A' ' 38' ' ' LYS . 1.2 tp10 60.27 -171.05 0.14 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.332 -0.855 . . . . 0.0 110.661 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.14 120.41 5.6 Favored Glycine 0 N--CA 1.501 2.999 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.679 ' HA ' ' HG3' ' A' ' 38' ' ' LYS . 34.8 Cg_endo -75.61 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.315 -1.192 0 C-N-CA 122.651 2.234 . . . . 0.0 111.178 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.83 -66.52 0.21 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.3 -0.875 . . . . 0.0 109.59 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -131.36 98.62 4.59 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.247 -0.908 . . . . 0.0 110.023 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.52 102.65 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 121.991 0.9 . . . . 0.0 110.87 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.679 ' HG3' ' HA ' ' A' ' 34' ' ' PRO . 4.8 mmtt -124.24 -177.02 3.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.957 -1.089 . . . . 0.0 110.389 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.604 ' O ' ' HA ' ' A' ' 31' ' ' GLU . 50.1 m-20 -136.68 131.94 34.26 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.516 -0.74 . . . . 0.0 109.074 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.499 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 40.9 m-85 -107.25 90.19 3.23 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.994 -1.066 . . . . 0.0 110.766 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.578 ' CG2' HD12 ' A' ' 29' ' ' LEU . 10.2 mm -73.73 100.76 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.098 -1.001 . . . . 0.0 109.257 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.684 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 25.5 m -93.33 144.72 25.05 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.209 -0.932 . . . . 0.0 110.466 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.595 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -134.99 157.56 46.6 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.433 -0.792 . . . . 0.0 109.944 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' C ' HG23 ' A' ' 50' ' ' VAL . 42.2 t -151.84 121.15 6.79 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.918 -1.114 . . . . 0.0 109.589 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.793 HG22 ' HB2' ' A' ' 25' ' ' HIS . 8.1 tt -101.2 135.87 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.05 -1.031 . . . . 0.0 109.699 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.601 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 98.7 t -136.68 114.47 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . 57.2 42.69 93.47 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 5.0 m 82.98 -33.04 0.08 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.841 -0.799 . . . . 0.0 111.297 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -81.35 117.18 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.68 -1.262 . . . . 0.0 110.01 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.757 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 4.8 p -104.26 159.75 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.764 -1.21 . . . . 0.0 110.379 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.846 HG21 ' HB2' ' A' ' 69' ' ' MET . 14.7 t -122.2 142.68 50.17 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.22 134.25 51.33 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.253 -0.905 . . . . 0.0 108.86 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.513 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -129.54 93.43 0.33 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.05 83.19 0.22 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.628 -0.925 . . . . 0.0 110.015 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.635 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -85.57 141.49 18.87 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.496 ' O ' ' HA ' ' A' ' 39' ' ' ASN . 2.5 t-20 -62.71 -70.36 0.21 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.235 -1.156 . . . . 0.0 110.076 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.499 ' HA2' ' CD1' ' A' ' 40' ' ' PHE . . . 164.97 134.52 1.67 Allowed Glycine 0 N--CA 1.499 2.894 0 O-C-N 120.754 -1.216 . . . . 0.0 110.676 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.52 -42.39 0.4 Allowed 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.531 -0.982 . . . . 0.0 111.472 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -94.23 -46.37 7.11 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.02 -1.05 . . . . 0.0 109.66 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 64' ' ' ARG . 1.5 t -128.72 149.07 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.123 -0.986 . . . . 0.0 110.989 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.635 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.4 OUTLIER 169.54 -86.53 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.595 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -61.3 -42.16 98.19 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.151 -0.968 . . . . 0.0 109.024 178.351 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.23 -55.16 38.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.484 -0.76 . . . . 0.0 109.709 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.59 ' HB2' HG12 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -58.42 -45.78 87.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.459 -0.776 . . . . 0.0 110.175 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.684 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -57.01 -44.56 82.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.195 -0.94 . . . . 0.0 109.594 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.97 -42.2 66.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.508 -0.745 . . . . 0.0 110.187 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 71' ' ' VAL . 38.5 mt-10 -51.93 -54.63 27.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.245 -0.91 . . . . 0.0 109.499 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.47 -45.22 89.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.45 -0.781 . . . . 0.0 110.23 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.846 ' HB2' HG21 ' A' ' 51' ' ' THR . 1.3 ttt -60.82 -52.5 64.79 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.014 -1.054 . . . . 0.0 109.639 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.775 HD21 HG22 ' A' ' 13' ' ' VAL . 85.4 mt -59.81 -44.64 93.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.465 -0.772 . . . . 0.0 109.482 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 67' ' ' GLU . 36.7 t -54.59 -39.26 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.269 -0.895 . . . . 0.0 109.832 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.18 -55.13 5.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.415 -0.803 . . . . 0.0 110.44 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.771 HD21 HD23 ' A' ' 70' ' ' LEU . 2.9 pp -62.44 -24.92 67.69 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.851 -1.156 . . . . 0.0 111.473 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -76.17 6.85 4.82 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.674 -1.267 . . . . 0.0 110.485 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -106.05 -17.66 14.26 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.99 -1.069 . . . . 0.0 110.314 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.485 1.306 0 O-C-N 121.302 -0.874 . . . . 0.0 109.845 -179.059 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.428 " H5'" ' N3 ' ' B' ' 1' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.434 1.577 0 O4'-C1'-N19 111.557 3.357 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.477 ' C2 ' ' N4 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.176 0 C5'-C4'-C3' 110.925 -3.05 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.021 0 C5'-C4'-C3' 111.211 -2.859 . 0.041 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.186 0 O4'-C1'-N19 111.181 2.981 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.047 0 C5'-C4'-C3' 111.056 -2.963 . 0.011 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.212 0 C5'-C4'-C3' 111.116 -2.923 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.459 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.081 0 C5'-C4'-C3' 111.11 -2.927 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.475 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.012 0 C5'-C4'-C3' 111.274 -2.817 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.99 0 C5'-C4'-C3' 111.309 -2.794 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.428 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.947 0 C5'-C4'-C3' 111.178 -2.881 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.705 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.213 0 O4'-C1'-N19 111.168 2.968 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.705 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.999 0 O4'-C1'-N19 111.032 2.832 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.919 0 O4'-C1'-N19 112.062 3.862 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.724 HO2' ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.048 0 C3'-C2'-C1' 104.482 3.314 . 0.093 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.513 " O5'" ' H6 ' ' B' ' 15' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.871 0 C5'-C4'-C3' 111.413 -2.724 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.724 ' H5 ' HO2' ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.967 0 C5'-C4'-C3' 111.296 -2.803 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.686 ' N3 ' " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.342 0 C5'-C4'-C3' 110.677 -3.215 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.623 " C1'" ' H21' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 111.33 -2.78 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.214 0 C5'-C4'-C3' 111.045 -2.97 . 0.187 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.448 ' C2 ' " H1'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.048 0 C5'-C4'-C3' 111.237 -2.842 . 0.15 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.002 0 C5'-C4'-C3' 111.066 -2.956 . 0.183 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.99 0 C5'-C4'-C3' 111.231 -2.846 . 0.041 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.028 0 C5'-C4'-C3' 111.28 -2.814 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.011 0 C5'-C4'-C3' 111.285 -2.81 . 0.033 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.965 0 C5'-C4'-C3' 111.225 -2.85 . 0.314 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.466 " H2'" " O4'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.116 0 C5'-C4'-C3' 111.225 -2.85 . 0.049 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.466 " O4'" " H2'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C3'-C2'-C1' 104.146 2.94 . 0.297 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.416 " H2'" " O4'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.992 0 C5'-C4'-C3' 111.005 -2.997 . 0.023 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.416 " O4'" " H2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.186 0 C5'-C4'-C3' 111.1 -2.933 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.477 ' N4 ' ' C2 ' ' B' ' 2' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.338 0 C5'-C4'-C3' 111.269 -2.82 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.54 177.22 7.78 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.275 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -137.91 170.77 15.47 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.404 -0.81 . . . . 0.0 110.388 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.18 -160.44 46.18 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -133.29 153.84 51.22 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.561 -0.964 . . . . 0.0 109.289 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -91.66 29.36 1.54 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.043 -1.036 . . . . 0.0 110.327 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' C ' ' HD3' ' A' ' 9' ' ' PRO . 4.4 ptpt -115.01 44.46 1.79 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.073 -1.017 . . . . 0.0 109.693 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.477 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . 23.2 t -118.46 77.82 14.12 Favored Pre-proline 0 N--CA 1.498 1.971 0 O-C-N 121.138 -0.976 . . . . 0.0 109.483 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' VAL . 36.8 Cg_endo -79.44 -61.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.202 0 C-N-CA 122.465 2.11 . . . . 0.0 110.818 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.0 mm -64.29 -49.45 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.905 -1.122 . . . . 0.0 110.199 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -64.79 0.75 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.42 -0.8 . . . . 0.0 110.455 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.477 ' HG3' ' HB3' ' A' ' 8' ' ' SER . 32.6 mt-30 -49.1 -41.27 35.2 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.165 -0.959 . . . . 0.0 110.754 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.797 HG21 ' HB1' ' A' ' 66' ' ' ALA . 41.6 t -59.33 -48.48 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.761 -1.212 . . . . 0.0 108.505 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -63.35 -40.11 96.38 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 2.6 mt-10 -57.94 -52.89 63.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.528 -0.733 . . . . 0.0 109.424 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.569 HD12 HD23 ' A' ' 70' ' ' LEU . 70.0 mt -62.12 -43.47 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.092 -1.005 . . . . 0.0 109.769 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.36 -44.2 98.36 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.402 HD13 ' C8 ' ' B' ' 17' ' ' ' G' . 14.6 mt -76.79 -34.26 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.613 -0.933 . . . . 0.0 109.954 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -54.81 -23.89 20.28 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.292 -0.88 . . . . 0.0 111.227 -179.608 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.38 -74.49 0.61 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.102 -0.999 . . . . 0.0 109.883 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 170.12 47.37 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.463 -0.773 . . . . 0.0 109.695 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.423 ' SD ' HD23 ' A' ' 73' ' ' LEU . 1.8 mtt -119.08 101.11 7.78 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.762 -1.211 . . . . 0.0 110.355 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.65 112.51 2.03 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.305 -0.872 . . . . 0.0 109.092 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 24' ' ' VAL . 13.1 p -89.96 125.11 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.443 -0.786 . . . . 0.0 110.261 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.873 ' HB2' HG22 ' A' ' 45' ' ' ILE . 87.3 m-70 -125.34 109.13 12.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.17 -0.956 . . . . 0.0 109.747 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -94.78 110.4 22.27 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.347 -0.846 . . . . 0.0 109.826 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 5.0 tttm -149.09 118.31 6.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.059 -1.026 . . . . 0.0 110.44 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.724 HG11 ' HG2' ' A' ' 31' ' ' GLU . 46.4 t -55.57 145.38 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 120.94 -1.1 . . . . 0.0 109.053 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.867 HD23 ' HB2' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -87.63 -39.89 14.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.054 -1.029 . . . . 0.0 108.926 179.736 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -172.4 114.52 0.3 Allowed 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.724 ' HG2' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -93.72 165.36 12.74 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.386 -0.821 . . . . 0.0 109.955 -179.423 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.505 ' O ' ' HD3' ' A' ' 34' ' ' PRO . 2.7 mt-10 -96.32 -178.02 4.16 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.381 -0.824 . . . . 0.0 108.813 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.603 ' O ' ' HG3' ' A' ' 38' ' ' LYS . . . -66.66 110.69 3.63 Favored Glycine 0 N--CA 1.505 3.296 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 32' ' ' GLU . 33.7 Cg_endo -73.98 71.23 4.28 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 122.052 1.835 . . . . 0.0 111.079 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.14 -60.26 0.22 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.178 -0.951 . . . . 0.0 110.443 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -95.98 77.02 3.14 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.068 -1.02 . . . . 0.0 111.354 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 42.32 83.47 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 CA-C-O 121.582 0.706 . . . . 0.0 111.973 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 33' ' ' GLY . 6.0 mmpt? -124.18 154.25 40.36 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.757 -1.215 . . . . 0.0 110.127 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.32 153.81 18.34 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.393 -0.817 . . . . 0.0 110.331 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.433 ' HD2' ' HA2' ' A' ' 57' ' ' GLY . 12.7 m-85 -109.53 114.78 28.7 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.185 -0.947 . . . . 0.0 110.409 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.565 ' O ' HG13 ' A' ' 28' ' ' VAL . 2.6 mp -97.38 106.78 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.822 -1.174 . . . . 0.0 109.33 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.539 ' HA ' HG22 ' A' ' 28' ' ' VAL . 95.5 m -94.95 140.78 29.46 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.176 -0.953 . . . . 0.0 110.489 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.867 ' HB2' HD23 ' A' ' 29' ' ' LEU . . . -108.38 144.42 35.97 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 49.7 t -142.87 149.67 38.83 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.987 -1.071 . . . . 0.0 110.234 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.873 HG22 ' HB2' ' A' ' 25' ' ' HIS . 5.5 tt -129.42 148.76 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.371 -0.831 . . . . 0.0 109.094 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.563 HG21 HD21 ' A' ' 73' ' ' LEU . 3.7 m -138.13 101.03 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.206 -0.934 . . . . 0.0 109.745 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.47 -87.62 0.12 Allowed Glycine 0 N--CA 1.5 2.921 0 N-CA-C 110.021 -1.232 . . . . 0.0 110.021 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.1 p -131.13 18.5 4.96 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.269 -1.136 . . . . 0.0 110.719 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.496 ' HB ' HG23 ' A' ' 46' ' ' VAL . 32.1 mm -122.99 142.14 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.914 -1.116 . . . . 0.0 109.673 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.559 HG22 HG13 ' A' ' 45' ' ' ILE . 1.5 t -118.69 148.65 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.283 -0.886 . . . . 0.0 109.431 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.498 ' HB ' ' CG ' ' A' ' 69' ' ' MET . 1.2 m -162.82 147.23 11.58 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.494 -0.754 . . . . 0.0 109.07 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -122.88 177.9 5.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.99 . . . . 0.0 110.743 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.554 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -142.06 127.98 3.43 Favored Glycine 0 N--CA 1.501 2.975 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -91.53 36.95 0.95 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.588 -0.948 . . . . 0.0 110.583 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -55.42 148.56 25.53 Favored Glycine 0 N--CA 1.502 3.041 0 O-C-N 120.896 -1.128 . . . . 0.0 110.346 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -54.8 -67.36 0.28 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.388 -1.066 . . . . 0.0 109.794 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' HA2' ' HD2' ' A' ' 40' ' ' PHE . . . -110.41 169.41 13.47 Favored Glycine 0 N--CA 1.497 2.732 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -52.61 -35.49 54.54 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.147 -1.207 . . . . 0.0 110.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 20.3 mtmt -57.59 -21.31 38.31 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.334 -0.854 . . . . 0.0 110.083 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 t -113.33 -41.41 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.209 -0.932 . . . . 0.0 109.381 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.438 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 18.9 t -45.19 -61.32 1.69 Allowed 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.752 -0.593 . . . . 0.0 111.856 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -42.02 99.04 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.293 -0.88 . . . . 0.0 110.858 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' A' ' 59' ' ' LYS . 5.0 mttt -64.81 -48.97 72.5 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.247 -0.908 . . . . 0.0 109.779 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 4.2 tpt85 -57.56 -44.15 85.04 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.573 -0.704 . . . . 0.0 110.128 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.554 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -68.76 -45.75 70.59 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.328 -0.858 . . . . 0.0 110.19 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.797 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -57.61 -64.65 0.83 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.297 -0.877 . . . . 0.0 110.961 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.5 mm-40 -51.19 -48.38 61.97 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.22 -0.925 . . . . 0.0 109.905 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -53.71 -37.53 63.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.274 -0.891 . . . . 0.0 110.51 179.346 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' HB ' ' A' ' 51' ' ' THR . 16.6 mtp -66.29 -53.35 37.65 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.137 -0.977 . . . . 0.0 109.255 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' A' ' 13' ' ' VAL . 10.5 mp -57.56 -41.18 80.52 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.415 -0.803 . . . . 0.0 109.212 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 67' ' ' GLU . 76.1 t -57.15 -34.79 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.332 -0.855 . . . . 0.0 109.842 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -85.27 -58.41 2.69 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.59 -0.694 . . . . 0.0 109.423 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 46' ' ' VAL . 9.5 mp -54.46 -33.18 59.17 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.421 -0.799 . . . . 0.0 111.255 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.98 24.16 0.95 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.723 -1.236 . . . . 0.0 109.449 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 -8.0 2.78 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.385 -0.822 . . . . 0.0 110.755 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.225 -0.922 . . . . 0.0 110.196 -179.544 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C5'-C4'-C3' 111.252 -2.832 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.191 0 O4'-C1'-N19 111.044 2.844 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.43 " H2'" ' C6 ' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.918 0 C5'-C4'-C3' 111.123 -2.918 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.43 ' C6 ' " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.442 2.318 0 O4'-C1'-N19 111.077 2.877 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.081 0 O4'-C1'-N19 111.09 2.89 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 C5'-C4'-C3' 111.218 -2.855 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.489 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.119 0 O4'-C1'-N19 111.061 2.861 . 0.041 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.598 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.099 0 O4'-C1'-N19 110.933 2.733 . 0.107 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . 0.405 " H2'" ' C6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C5'-C4'-C3' 111.262 -2.825 . 0.433 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.405 ' C6 ' " H2'" ' B' ' 9' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.954 0 C5'-C4'-C3' 111.147 -2.902 . 0.039 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.593 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.105 0 C5'-C4'-C3' 111.05 -2.966 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.038 0 C5'-C4'-C3' 110.927 -3.049 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C5'-C4'-C3' 111.257 -2.828 . 0.198 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.514 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C5'-C4'-C3' 110.976 -3.016 . 0.167 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.01 0 O4'-C1'-N19 111.27 3.07 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.514 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 C2'--O2' 1.435 1.654 0 O4'-C1'-N19 111.149 2.949 . 0.091 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.821 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.122 0 O4'-C1'-N19 111.148 2.948 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.821 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.101 0 C5'-C4'-C3' 111.321 -2.786 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.717 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.135 0 C5'-C4'-C3' 111.278 -2.815 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.493 " H2'" ' N3 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.012 0 C5'-C4'-C3' 111.128 -2.915 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.443 " H2'" ' C6 ' ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.092 0 C5'-C4'-C3' 111.256 -2.829 . 0.046 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.501 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.134 0 C5'-C4'-C3' 111.313 -2.792 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.151 -2.899 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . 0.503 " H2'" " O4'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.825 0 C5'-C4'-C3' 111.233 -2.845 . 0.175 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.503 " O4'" " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.075 0 O4'-C1'-N19 111.044 2.844 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.053 0 O4'-C1'-N19 111.089 2.889 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.07 0 C5'-C4'-C3' 111.361 -2.759 . 0.07 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.502 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.001 0 C5'-C4'-C3' 111.263 -2.825 . 0.298 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.994 0 C5'-C4'-C3' 111.343 -2.771 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 O4'-C1'-N19 110.937 2.737 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.3 mmm . . . . . 0 N--CA 1.501 2.076 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.57 122.57 19.03 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.168 0.509 . . . . 0.0 109.807 -176.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -118.83 168.73 10.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.307 -0.871 . . . . 0.0 110.029 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.82 67.25 0.56 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.66 -49.48 6.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.542 -0.975 . . . . 0.0 109.792 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.498 ' HG3' ' OE1' ' A' ' 12' ' ' GLN . 21.4 tttm 62.63 79.3 0.26 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.417 -0.802 . . . . 0.0 110.178 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 8' ' ' SER . 14.8 mttt -66.13 68.84 0.05 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.316 -0.865 . . . . 0.0 110.235 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.522 ' HB3' ' OG ' ' A' ' 11' ' ' SER . 0.2 OUTLIER 76.72 156.44 0.15 Allowed Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 121.406 -0.809 . . . . 0.0 110.449 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.681 ' O ' HG23 ' A' ' 13' ' ' VAL . 36.0 Cg_endo -78.3 -52.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 122.546 2.164 . . . . 0.0 111.23 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.542 HD11 ' HG2' ' A' ' 62' ' ' LYS . 12.4 mt -51.3 -48.12 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.32 0 O-C-N 121.483 -0.761 . . . . 0.0 110.412 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' A' ' 8' ' ' SER . 0.0 OUTLIER -54.62 -60.55 3.21 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.577 -0.702 . . . . 0.0 110.075 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.498 ' OE1' ' HG3' ' A' ' 6' ' ' LYS . 30.5 mt-30 -55.72 -37.71 68.78 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.211 -0.931 . . . . 0.0 110.072 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.907 HG22 HD21 ' A' ' 70' ' ' LEU . 61.5 t -62.26 -43.66 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.886 -1.134 . . . . 0.0 108.219 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -66.46 -39.92 89.1 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 24.8 mt-10 -59.88 -54.85 41.37 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.675 -0.64 . . . . 0.0 109.856 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.38 -37.95 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 120.957 -1.089 . . . . 0.0 109.988 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.571 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -65.16 -52.52 40.26 Favored Glycine 0 N--CA 1.499 2.873 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -62.11 -43.12 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.529 -0.983 . . . . 0.0 108.696 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.1 mttm -62.98 -16.33 59.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.455 -0.778 . . . . 0.0 110.499 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.81 21.77 12.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.009 -1.057 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.07 39.02 29.46 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.098 -1.001 . . . . 0.0 110.479 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.38 133.96 52.42 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.907 -1.121 . . . . 0.0 109.953 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.427 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -74.3 87.91 2.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.113 -0.992 . . . . 0.0 109.755 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.571 HG21 ' HA3' ' A' ' 17' ' ' GLY . 97.5 t -93.79 112.1 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.397 -0.814 . . . . 0.0 109.193 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.633 ' HB2' HG22 ' A' ' 45' ' ' ILE . 11.3 m-70 -131.02 126.09 35.0 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.214 -0.929 . . . . 0.0 109.378 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CE2' HG12 ' A' ' 10' ' ' ILE . 6.2 m-85 -100.54 148.32 24.93 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.32 -0.862 . . . . 0.0 110.213 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.1 110.7 3.55 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.411 -0.806 . . . . 0.0 109.381 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.623 HG21 ' HE2' ' A' ' 62' ' ' LYS . 6.7 t -86.6 139.76 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.899 -1.126 . . . . 0.0 109.303 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD12 ' CG2' ' A' ' 41' ' ' ILE . 3.4 mt -92.52 -40.34 10.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.281 -0.887 . . . . 0.0 109.719 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 40' ' ' PHE . 2.3 mpt_? -158.74 117.8 3.05 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.467 -0.77 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.532 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -105.52 36.32 2.56 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.281 -0.887 . . . . 0.0 109.57 179.307 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.84 -82.38 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.188 -0.945 . . . . 0.0 109.123 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.2 -116.61 4.24 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.759 ' HG2' ' HB3' ' A' ' 37' ' ' MET . 37.3 Cg_endo -82.34 121.04 3.37 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.232 1.955 . . . . 0.0 109.748 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.16 -29.1 0.07 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.421 -0.799 . . . . 0.0 111.878 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -81.79 -53.98 5.75 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.1 -1.0 . . . . 0.0 110.488 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.759 ' HB3' ' HG2' ' A' ' 34' ' ' PRO . 6.1 ttt -93.1 67.09 4.19 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.077 -1.014 . . . . 0.0 109.298 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -68.71 82.79 0.29 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.599 -0.688 . . . . 0.0 110.412 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -101.08 157.73 16.54 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.191 -0.943 . . . . 0.0 109.627 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.532 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 25.1 m-85 -123.78 98.7 5.93 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.141 -0.974 . . . . 0.0 110.197 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.672 HG23 ' HG2' ' A' ' 54' ' ' GLU . 1.4 mt -90.03 106.2 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 120.676 -1.265 . . . . 0.0 109.543 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 88.5 m -109.72 122.76 48.2 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.153 -0.967 . . . . 0.0 110.273 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.685 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -107.63 143.95 35.37 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.203 -0.936 . . . . 0.0 108.964 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.465 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 4.1 m -142.33 152.04 42.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.854 -1.153 . . . . 0.0 110.455 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.678 HG13 HG22 ' A' ' 50' ' ' VAL . 17.5 tt -121.49 140.89 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.157 -0.964 . . . . 0.0 109.029 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.81 HG21 ' HB3' ' A' ' 73' ' ' LEU . 12.5 p -132.92 74.88 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 109.839 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.427 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 43.53 -87.76 0.01 OUTLIER Glycine 0 N--CA 1.506 3.321 0 O-C-N 121.81 -0.556 . . . . 0.0 112.007 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 46' ' ' VAL . 48.7 m -44.87 -43.27 8.69 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.836 -0.802 . . . . 0.0 112.153 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -154.47 176.8 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.46 -1.4 . . . . 0.0 111.924 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.678 HG22 HG13 ' A' ' 45' ' ' ILE . 1.5 t -120.12 148.25 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.497 ' N ' ' HE1' ' A' ' 69' ' ' MET . 4.7 m -150.29 143.31 24.84 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.175 -0.953 . . . . 0.0 110.229 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.685 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 10.5 pt-20 -111.15 169.0 9.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.113 -0.992 . . . . 0.0 109.629 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.95 106.38 0.3 Allowed Glycine 0 N--CA 1.497 2.73 0 C-N-CA 119.929 -1.129 . . . . 0.0 110.47 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.672 ' HG2' HG23 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -85.38 78.28 9.77 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.456 -1.026 . . . . 0.0 109.194 179.255 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -92.0 162.43 27.43 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -78.07 -167.13 0.94 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.925 -1.338 . . . . 0.0 109.841 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.59 -146.51 0.68 Allowed Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 22.1 mmtt 50.25 30.5 4.43 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.167 -1.196 . . . . 0.0 110.102 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 48.9 mttt 65.97 10.35 6.88 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.454 -0.779 . . . . 0.0 111.206 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -59.18 -50.93 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.729 -1.232 . . . . 0.0 109.658 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.519 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 32.6 t -59.58 -62.0 2.2 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.452 -0.78 . . . . 0.0 110.902 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.623 ' HE2' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -53.41 -32.8 51.3 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.566 -0.709 . . . . 0.0 110.459 -179.578 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 59' ' ' LYS . 3.5 ttpp -83.31 -60.4 2.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.116 -0.99 . . . . 0.0 109.73 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -50.7 -43.37 57.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.512 -0.743 . . . . 0.0 110.749 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.82 -47.73 83.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.133 -0.98 . . . . 0.0 109.129 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.713 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -68.28 -45.88 71.87 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -53.23 -48.1 68.46 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.164 -0.96 . . . . 0.0 109.812 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.54 -42.48 92.44 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.164 -0.96 . . . . 0.0 109.604 179.283 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.497 ' HE1' ' N ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -67.66 -39.12 84.57 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.123 -0.986 . . . . 0.0 109.568 179.291 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.907 HD21 HG22 ' A' ' 13' ' ' VAL . 33.6 mt -53.92 -53.41 53.02 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.504 -0.747 . . . . 0.0 110.224 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 68' ' ' LYS . 11.0 p -63.79 -33.58 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.056 -1.027 . . . . 0.0 109.673 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -66.63 -60.44 2.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.0 110.185 179.723 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.81 ' HB3' HG21 ' A' ' 46' ' ' VAL . 1.4 pp -64.17 -26.84 68.7 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.673 -1.267 . . . . 0.0 111.175 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -83.5 -12.81 55.81 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.815 -1.178 . . . . 0.0 110.794 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.586 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -101.74 -26.09 13.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.917 -1.114 . . . . 0.0 110.06 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.406 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 5.2 mt . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 122.669 0.388 . . . . 0.0 111.236 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C5'-C4'-C3' 111.209 -2.861 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 0 C5'-C4'-C3' 111.306 -2.796 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.954 0 C5'-C4'-C3' 111.299 -2.801 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.089 2.889 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.054 0 C5'-C4'-C3' 111.232 -2.845 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.006 0 C5'-C4'-C3' 111.088 -2.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.958 0 C5'-C4'-C3' 110.941 -3.039 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.4 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.891 0 C5'-C4'-C3' 111.169 -2.887 . 0.075 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.069 0 O4'-C1'-N19 111.059 2.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.51 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.008 0 O4'-C1'-N19 111.018 2.818 . 0.295 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.913 0 C5'-C4'-C3' 111.218 -2.855 . 0.144 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.047 0 O4'-C1'-N19 111.17 2.97 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.691 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.28 0 O4'-C1'-N19 111.155 2.955 . 0.049 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.422 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C3'-C2'-C1' 104.469 3.298 . 0.214 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.067 0 C5'-C4'-C3' 111.415 -2.723 . 0.15 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.422 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.161 0 C5'-C4'-C3' 111.231 -2.846 . 0.033 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.692 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.817 0 C5'-C4'-C3' 110.93 -3.047 . 0.348 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.692 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.167 0 O4'-C1'-N19 111.015 2.815 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.121 0 C5'-C4'-C3' 111.22 -2.853 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.873 0 C5'-C4'-C3' 111.222 -2.852 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.966 0 C5'-C4'-C3' 111.209 -2.86 . 0.038 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.581 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.087 0 C5'-C4'-C3' 111.21 -2.86 . 0.027 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.062 0 C5'-C4'-C3' 111.064 -2.957 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.927 0 C5'-C4'-C3' 111.047 -2.969 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.015 0 C5'-C4'-C3' 111.252 -2.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.934 0 C5'-C4'-C3' 111.221 -2.853 . 0.409 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.016 0 O4'-C1'-N19 110.941 2.741 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.614 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.045 0 C5'-C4'-C3' 111.056 -2.962 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.943 0 C5'-C4'-C3' 111.1 -2.933 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C5'-C4'-C3' 110.995 -3.004 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -79.81 172.32 13.94 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.584 -0.697 . . . . 0.0 110.501 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.404 ' CD ' ' HZ3' ' A' ' 7' ' ' LYS . 7.7 tm-20 -178.38 -39.63 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 CA-C-O 121.169 0.509 . . . . 0.0 109.851 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.485 ' HA3' ' HE3' ' A' ' 7' ' ' LYS . . . 110.82 96.5 2.37 Favored Glycine 0 N--CA 1.504 3.194 0 O-C-N 120.67 -1.268 . . . . 0.0 109.941 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 6' ' ' LYS . 6.0 m-20 -69.6 160.95 30.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.713 -0.875 . . . . 0.0 111.635 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 5' ' ' ASP . 19.5 mttt 30.99 61.26 0.23 Allowed 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 121.286 0.565 . . . . 0.0 112.2 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HE3' ' HA3' ' A' ' 4' ' ' GLY . 2.6 mttp -72.44 86.52 1.15 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.742 -1.224 . . . . 0.0 109.427 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.536 ' OG ' ' CB ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -114.58 88.87 16.86 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.528 -0.732 . . . . 0.0 110.089 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 37.4 Cg_endo -80.31 -89.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 122.438 2.092 . . . . 0.0 111.766 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.443 ' O ' HG12 ' A' ' 13' ' ' VAL . 48.5 mm -119.51 -47.76 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 120.727 -1.233 . . . . 0.0 110.731 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.3 -52.25 16.85 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.129 -0.982 . . . . 0.0 110.215 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.536 ' CB ' ' OG ' ' A' ' 8' ' ' SER . 3.1 mm-40 -62.78 -44.1 97.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.319 -0.863 . . . . 0.0 110.073 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.544 HG23 ' CG ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -56.88 -39.94 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.047 -1.033 . . . . 0.0 108.678 179.112 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.515 ' HA ' HG21 ' A' ' 24' ' ' VAL . 17.6 m-70 -69.46 -41.55 76.08 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.69 -47.1 64.03 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.447 0.641 . . . . 0.0 109.289 178.556 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.32 -49.15 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.234 -0.916 . . . . 0.0 109.663 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.73 56.63 Favored Glycine 0 N--CA 1.499 2.885 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.5 mm -57.74 -47.84 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.409 -1.054 . . . . 0.0 109.458 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -50.91 -39.11 53.61 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.375 -0.828 . . . . 0.0 110.121 179.462 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -99.02 24.58 7.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.276 -0.89 . . . . 0.0 110.253 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 m120 52.19 33.36 12.26 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.158 -0.964 . . . . 0.0 110.451 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.0 mtm -103.07 120.04 39.96 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.069 -1.019 . . . . 0.0 109.583 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.42 125.12 23.15 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.153 -0.967 . . . . 0.0 109.829 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.574 HG13 HG12 ' A' ' 46' ' ' VAL . 39.4 t -106.22 118.63 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.36 -0.838 . . . . 0.0 109.256 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.633 ' HB2' HG22 ' A' ' 45' ' ' ILE . 34.7 m-70 -129.89 126.52 38.15 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.092 -1.005 . . . . 0.0 110.38 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CD2' ' HB2' ' A' ' 44' ' ' CYS . 23.1 m-85 -101.66 145.54 28.95 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.391 -0.818 . . . . 0.0 109.536 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -155.52 124.53 6.15 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.149 -0.969 . . . . 0.0 110.261 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 80.0 t -75.08 148.26 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.059 -1.026 . . . . 0.0 109.029 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.894 HD21 ' CB ' ' A' ' 43' ' ' ALA . 5.2 mt -96.66 -42.12 8.18 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.151 -0.968 . . . . 0.0 109.68 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -176.15 148.83 0.83 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.584 0.707 . . . . 0.0 110.598 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.2 pm0 -115.23 70.67 0.75 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.744 0.783 . . . . 0.0 109.68 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.43 110.53 11.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.637 -1.289 . . . . 0.0 110.128 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.647 ' HA3' ' HB3' ' A' ' 38' ' ' LYS . . . 173.93 77.25 0.05 OUTLIER Glycine 0 N--CA 1.497 2.705 0 C-N-CA 119.597 -1.287 . . . . 0.0 111.341 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.73 -34.65 1.26 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.501 2.134 . . . . 0.0 110.688 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -173.39 -66.71 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' A' ' 37' ' ' MET . 9.8 m-70 -81.91 106.24 13.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.172 -0.955 . . . . 0.0 109.148 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.446 ' CB ' ' O ' ' A' ' 36' ' ' HIS . 3.3 tpp 77.64 99.97 0.07 Allowed 'General case' 0 N--CA 1.507 2.39 0 CA-C-O 121.352 0.596 . . . . 0.0 110.731 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.647 ' HB3' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -124.31 122.22 37.13 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.934 -1.104 . . . . 0.0 109.816 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.17 162.69 25.54 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.53 -0.731 . . . . 0.0 110.469 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.573 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 11.6 m-85 -137.86 95.07 2.98 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.169 -0.957 . . . . 0.0 109.392 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.628 ' CG2' HD12 ' A' ' 29' ' ' LEU . 22.4 mt -81.7 115.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.849 -1.157 . . . . 0.0 110.296 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.51 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 62.6 m -112.72 130.0 56.22 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.179 -0.95 . . . . 0.0 109.821 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.894 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -109.1 166.26 10.98 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.147 -0.971 . . . . 0.0 110.15 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 26' ' ' PHE . 29.1 t -159.64 152.47 21.65 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.332 -0.855 . . . . 0.0 110.34 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.633 HG22 ' HB2' ' A' ' 25' ' ' HIS . 12.6 tt -129.08 142.22 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.212 -0.93 . . . . 0.0 109.42 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.612 HG22 ' CE ' ' A' ' 69' ' ' MET . 16.4 m -134.22 105.34 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.166 -0.959 . . . . 0.0 109.956 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.57 -90.97 0.16 Allowed Glycine 0 N--CA 1.501 2.984 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.4 p -130.48 23.58 5.12 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.314 -1.109 . . . . 0.0 110.455 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mp -130.04 136.69 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.967 -1.083 . . . . 0.0 109.846 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.432 HG22 HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -117.75 143.7 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.187 -0.945 . . . . 0.0 109.499 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.461 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 51.1 m -157.61 143.8 17.64 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.44 -0.787 . . . . 0.0 109.244 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.67 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -121.82 -174.38 2.86 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.018 -1.051 . . . . 0.0 110.466 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.31 117.18 0.83 Allowed Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.28 72.97 5.9 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.252 -1.146 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.73 ' HA3' ' CA ' ' A' ' 61' ' ' SER . . . -74.29 173.21 51.32 Favored Glycine 0 N--CA 1.5 2.92 0 O-C-N 120.854 -1.154 . . . . 0.0 111.024 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -102.77 7.82 39.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.352 -1.087 . . . . 0.0 111.505 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.573 ' HA2' ' CD1' ' A' ' 40' ' ' PHE . . . 156.68 -147.91 17.02 Favored Glycine 0 N--CA 1.503 3.118 0 O-C-N 120.425 -1.422 . . . . 0.0 111.202 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -37.57 54.79 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.857 -0.79 . . . . 0.0 110.786 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.492 ' O ' ' HB ' ' A' ' 60' ' ' VAL . 11.0 tttt -105.22 174.41 5.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.138 -0.976 . . . . 0.0 109.265 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.492 ' HB ' ' O ' ' A' ' 59' ' ' LYS . 32.8 t 71.02 -53.72 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.286 0 O-C-N 121.273 -0.892 . . . . 0.0 111.16 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.73 ' CA ' ' HA3' ' A' ' 55' ' ' GLY . 23.0 t -59.13 -69.62 0.19 Allowed 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.622 -1.298 . . . . 0.0 111.071 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -58.74 -36.4 74.27 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.179 -0.95 . . . . 0.0 110.572 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 11.4 ttpp -73.8 -63.74 1.15 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -52.1 -40.05 60.69 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.396 -0.815 . . . . 0.0 110.543 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.15 -51.86 67.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.203 -0.936 . . . . 0.0 109.24 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.99 76.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.257 -0.902 . . . . 0.0 109.751 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 46.0 mt-10 -54.65 -52.14 63.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.235 -0.916 . . . . 0.0 109.375 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' NZ ' ' HG3' ' A' ' 72' ' ' GLU . 7.6 tptt -56.69 -43.93 80.96 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.372 -0.83 . . . . 0.0 109.265 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.612 ' CE ' HG22 ' A' ' 46' ' ' VAL . 1.6 ttt -62.88 -54.99 30.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.514 -0.741 . . . . 0.0 110.215 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.544 ' CG ' HG23 ' A' ' 13' ' ' VAL . 50.3 mt -63.68 -50.08 70.64 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.074 -1.016 . . . . 0.0 110.712 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.8 t -45.69 -46.8 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 121.377 -0.827 . . . . 0.0 109.848 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' HG3' ' NZ ' ' A' ' 68' ' ' LYS . 1.2 mt-10 -82.27 -45.83 14.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.044 -1.035 . . . . 0.0 110.331 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 73' ' ' LEU . 70.2 mt -56.36 -28.62 59.64 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.059 -1.025 . . . . 0.0 110.242 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -87.4 -11.21 49.91 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.029 -1.045 . . . . 0.0 109.48 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -104.59 -24.18 13.02 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.402 -0.811 . . . . 0.0 109.953 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 CA--C 1.554 1.116 0 O-C-N 121.677 -0.639 . . . . 0.0 110.674 179.507 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.497 " H2'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.836 0 C5'-C4'-C3' 111.124 -2.917 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.497 " O4'" " H2'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.174 0 O4'-C1'-N19 111.206 3.006 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.481 " H5'" " O2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.917 0 C5'-C4'-C3' 111.095 -2.937 . 0.071 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.929 0 O4'-C1'-N19 111.087 2.887 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.028 0 O4'-C1'-N19 111.045 2.845 . 0.021 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.086 0 C5'-C4'-C3' 111.146 -2.903 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.906 0 C5'-C4'-C3' 111.238 -2.842 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.961 0 C5'-C4'-C3' 111.068 -2.955 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.974 0 C5'-C4'-C3' 111.27 -2.82 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.433 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.017 0 C5'-C4'-C3' 111.17 -2.886 . 0.203 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.554 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.136 0 O4'-C1'-N19 111.032 2.832 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.428 ' O2 ' " H2'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.091 0 C5'-C4'-C3' 111.039 -2.974 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.613 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.13 0 C5'-C4'-C3' 111.22 -2.853 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.569 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C3'-C2'-C1' 104.609 3.455 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.41 " H2'" " O3'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.074 0 C5'-C4'-C3' 111.189 -2.874 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.569 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.821 0 C5'-C4'-C3' 111.152 -2.899 . 0.062 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.769 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.055 0 C5'-C4'-C3' 110.893 -3.071 . 0.64 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.769 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.076 0 C5'-C4'-C3' 111.176 -2.883 . 0.011 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.428 ' H21' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.037 0 C5'-C4'-C3' 110.875 -3.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.514 " H2'" ' N3 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.932 0 C5'-C4'-C3' 111.118 -2.921 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.405 ' N1 ' ' N3 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.018 0 C5'-C4'-C3' 111.189 -2.874 . 0.122 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.039 0 O4'-C1'-N19 111.165 2.965 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.123 0 C5'-C4'-C3' 111.35 -2.767 . 0.275 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.137 0 O4'-C1'-N19 111.042 2.842 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.039 0 C5'-C4'-C3' 111.323 -2.785 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.021 0 C5'-C4'-C3' 111.234 -2.844 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.083 0 O4'-C1'-N19 110.995 2.795 . 0.022 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.939 0 C5'-C4'-C3' 111.227 -2.848 . 0.147 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C3'-C2'-C1' 104.495 3.328 . 0.031 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 111.086 2.886 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.1 113.98 4.9 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 63.88 -160.65 0.3 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.365 -0.834 . . . . 0.0 109.318 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.25 -138.98 2.83 Favored Glycine 0 N--CA 1.502 3.065 0 O-C-N 120.456 -1.402 . . . . 0.0 111.194 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -158.83 -70.81 0.09 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.484 -1.009 . . . . 0.0 109.805 -179.032 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' A' ' 5' ' ' ASP . 13.8 tttt -179.86 -59.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.905 -1.122 . . . . 0.0 109.775 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.488 ' C ' ' HD3' ' A' ' 9' ' ' PRO . 20.7 mmtm 44.22 63.89 1.49 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.538 0.685 . . . . 0.0 110.236 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.456 ' OG ' ' HG2' ' A' ' 6' ' ' LYS . 11.3 m -114.44 76.8 3.98 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.137 -0.977 . . . . 0.0 109.871 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.538 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 35.8 Cg_endo -77.85 -67.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.024 0 C-N-CA 122.367 2.045 . . . . 0.0 112.601 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.747 HG21 " O2'" ' B' ' 19' ' ' ' G' . 41.2 mm -117.51 -78.28 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.492 -1.38 . . . . 0.0 111.819 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -37.43 -65.05 0.34 Allowed 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.332 -0.855 . . . . 0.0 111.218 -178.663 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -49.18 -39.64 30.17 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.358 -0.839 . . . . 0.0 110.626 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.669 HG22 HD11 ' A' ' 70' ' ' LEU . 36.2 t -63.87 -46.45 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 120.9 -1.125 . . . . 0.0 108.448 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.573 ' O ' HG22 ' A' ' 18' ' ' ILE . 15.6 m-70 -61.18 -50.3 73.73 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 6.3 mt-10 -52.21 -48.82 64.88 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 16' ' ' ILE . 15.0 mm -62.81 -38.49 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.207 -0.933 . . . . 0.0 109.17 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.34 -51.77 55.64 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER -74.59 -39.68 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 121.229 -1.159 . . . . 0.0 109.248 179.663 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HB3' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -59.47 -28.45 67.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.017 -1.052 . . . . 0.0 110.196 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.555 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -105.15 -60.63 1.59 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.481 -0.762 . . . . 0.0 109.828 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER 154.97 -1.44 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.883 0 O-C-N 122.099 -0.376 . . . . 0.0 111.222 179.573 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.423 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 2.6 mtt -72.56 147.55 45.8 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.35 -1.469 . . . . 0.0 110.651 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.605 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 42.2 p -65.86 -57.94 6.76 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.48 -0.763 . . . . 0.0 110.931 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.587 ' HA ' HG22 ' A' ' 46' ' ' VAL . 51.8 t 66.23 87.89 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-O 121.873 0.844 . . . . 0.0 109.812 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.606 ' HB2' HG22 ' A' ' 45' ' ' ILE . 6.6 m-70 -126.98 124.14 38.76 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.842 -1.161 . . . . 0.0 109.687 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 76.0 m-85 -112.96 132.44 55.35 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.318 -0.864 . . . . 0.0 110.025 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 6.9 tttm -148.76 124.31 10.38 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.087 -1.008 . . . . 0.0 110.183 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.737 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 2.4 p -75.62 153.75 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.801 -1.187 . . . . 0.0 110.432 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 43' ' ' ALA . 1.7 mt -113.97 -35.3 5.14 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.166 -0.959 . . . . 0.0 109.827 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.865 ' HB2' HG22 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -141.23 124.25 16.32 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.45 -0.781 . . . . 0.0 109.477 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.686 ' CG ' HG21 ' A' ' 28' ' ' VAL . 1.1 mt-10 -136.0 67.04 1.48 Allowed 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.783 ' HB2' ' HG3' ' A' ' 38' ' ' LYS . 1.9 mp0 -49.27 134.24 18.51 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.311 -0.868 . . . . 0.0 110.194 -179.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.14 -138.32 0.6 Allowed Glycine 0 N--CA 1.499 2.869 0 O-C-N 121.157 -0.964 . . . . 0.0 110.739 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.52 ' HG3' ' N4 ' ' B' ' 25' ' ' ' C' . 36.2 Cg_endo -78.46 148.0 23.11 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.461 2.107 . . . . 0.0 110.776 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.758 ' HB2' ' H41' ' B' ' 4' ' ' ' C' . . . 174.24 -78.88 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.402 -0.811 . . . . 0.0 109.756 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.654 ' HB2' ' N7 ' ' B' ' 3' ' ' ' A' . 0.6 OUTLIER -150.03 -76.15 0.15 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.253 -0.905 . . . . 0.0 109.41 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 7.5 tpt -125.14 -68.59 0.84 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.158 -0.964 . . . . 0.0 110.354 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.783 ' HG3' ' HB2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER 52.46 -173.84 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.967 0.413 . . . . 0.0 111.036 179.596 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 38' ' ' LYS . 53.7 m-80 -142.3 -171.01 3.3 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.622 -1.299 . . . . 0.0 110.538 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.625 ' CZ ' ' HE2' ' A' ' 38' ' ' LYS . 65.7 m-85 -142.97 110.33 5.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.226 -0.921 . . . . 0.0 109.441 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.865 HG22 ' HB2' ' A' ' 30' ' ' ARG . 21.5 tt -106.72 121.88 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.45 -1.406 . . . . 0.0 110.281 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.737 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 27.5 m -121.92 128.53 51.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.428 -0.795 . . . . 0.0 109.517 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.587 ' HB3' HD21 ' A' ' 29' ' ' LEU . . . -101.06 150.0 23.36 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.243 -0.911 . . . . 0.0 109.767 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.2 p -147.09 144.23 28.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.082 -1.011 . . . . 0.0 110.244 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.606 HG22 ' HB2' ' A' ' 25' ' ' HIS . 17.1 tt -128.69 144.57 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.328 -0.857 . . . . 0.0 110.105 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 24' ' ' VAL . 61.3 t -134.89 104.86 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.115 -0.991 . . . . 0.0 109.521 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.48 -86.55 0.42 Allowed Glycine 0 N--CA 1.499 2.878 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -138.87 20.33 2.66 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.378 -1.072 . . . . 0.0 110.381 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.72 HD13 HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -123.25 141.34 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.986 -1.071 . . . . 0.0 108.864 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG22 HG13 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -123.25 146.93 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.261 -0.9 . . . . 0.0 109.797 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.594 HG21 ' HD3' ' A' ' 68' ' ' LYS . 1.2 m -148.01 124.61 11.08 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.503 -0.748 . . . . 0.0 109.413 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -88.43 159.05 18.17 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.362 -0.836 . . . . 0.0 110.918 -179.429 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.885 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -132.58 96.27 0.31 Allowed Glycine 0 N--CA 1.498 2.805 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -85.84 30.77 0.64 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.44 -1.035 . . . . 0.0 111.259 -179.269 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.37 132.16 7.13 Favored Glycine 0 N--CA 1.507 3.393 0 O-C-N 120.863 -1.148 . . . . 0.0 110.364 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -68.87 -35.54 77.02 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.188 -1.184 . . . . 0.0 110.503 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -102.06 149.94 18.1 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.549 ' HE2' ' OE1' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -48.97 -44.88 41.35 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.515 -0.991 . . . . 0.0 110.29 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' O ' ' HE2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -69.89 -6.23 31.35 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.669 -0.644 . . . . 0.0 111.283 -179.776 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.4 t -98.67 -46.69 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.858 -1.152 . . . . 0.0 109.076 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -63.34 -50.35 70.33 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.524 -0.735 . . . . 0.0 110.376 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.13 55.99 2.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.137 -0.977 . . . . 0.0 109.357 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' ' 59' ' ' LYS . 0.7 OUTLIER -179.77 -63.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -38.36 19.32 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.442 -0.786 . . . . 0.0 110.168 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.885 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -65.66 -39.59 91.52 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.118 -0.989 . . . . 0.0 109.452 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . . . -76.87 -57.0 4.1 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.378 -0.826 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.768 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -50.16 -52.06 38.44 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.305 -0.872 . . . . 0.0 109.382 179.602 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.594 ' HD3' HG21 ' A' ' 51' ' ' THR . 1.9 tttm -53.53 -47.81 69.61 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.569 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -54.86 -49.23 71.64 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.449 -0.782 . . . . 0.0 109.556 178.774 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.669 HD11 HG22 ' A' ' 13' ' ' VAL . 2.2 mt -63.46 -35.07 79.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.715 -1.24 . . . . 0.0 108.977 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 67' ' ' GLU . 94.4 t -58.37 -55.02 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.388 -0.82 . . . . 0.0 109.149 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -67.83 -42.69 81.06 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.162 -0.961 . . . . 0.0 109.941 179.09 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 49' ' ' ILE . 76.4 mt -60.53 -30.67 69.89 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.015 -1.053 . . . . 0.0 110.743 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -81.42 6.61 14.01 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.896 -1.127 . . . . 0.0 110.063 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.21 4.32 6.38 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.081 -1.012 . . . . 0.0 110.99 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.159 -179.782 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.53 ' N3 ' " H2'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.434 1.591 0 C5'-C4'-C3' 111.045 -2.97 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.417 ' C2 ' ' C8 ' ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.611 1.846 0 C5'-C4'-C3' 111.033 -2.978 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.654 ' N7 ' ' HB2' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C4' 1.427 -2.147 0 O4'-C1'-N19 110.907 2.707 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.758 ' H41' ' HB2' ' A' ' 35' ' ' ALA . . . . . . . . 0 P--O5' 1.616 2.264 0 C5'-C4'-C3' 111.21 -2.86 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 O4'-C1'-N19 110.999 2.799 . 0.31 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.2 0 O4'-C1'-N19 111.073 2.873 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.056 0 O4'-C1'-N19 111.186 2.986 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.406 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.089 0 O4'-C1'-N19 111.02 2.82 . 0.122 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 C5'-C4'-C3' 111.091 -2.939 . 0.246 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C5'-C4'-C3' 111.227 -2.848 . 0.081 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.693 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.03 -2.98 . 0.027 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.693 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.837 0 O4'-C1'-N19 111.049 2.849 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.568 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.164 0 O4'-C1'-N19 111.903 3.703 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.568 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 C3'-C2'-C1' 104.677 3.53 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 C5'-C4'-C3' 111.309 -2.794 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.521 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.259 0 O4'-C1'-N19 111.092 2.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.563 ' N7 ' ' HB3' ' A' ' 14' ' ' HIS . . . . . . . . 0 P--O5' 1.614 2.138 0 C5'-C4'-C3' 111.222 -2.852 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.483 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.47 0 O4'-C1'-N19 110.903 2.703 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.747 " O2'" HG21 ' A' ' 10' ' ' ILE . . . . . . . . 0 O4'--C4' 1.427 -2.183 0 C5'-C4'-C3' 110.923 -3.051 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.405 0 C3'-C2'-C1' 104.088 2.875 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.461 " H2'" ' C6 ' ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.898 0 C5'-C4'-C3' 110.956 -3.029 . 0.019 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.461 ' C6 ' " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 C5'-C4'-C3' 111.083 -2.945 . 0.37 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.848 0 C5'-C4'-C3' 111.312 -2.792 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.045 0 C5'-C4'-C3' 111.079 -2.947 . 0.05 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.52 ' N4 ' ' HG3' ' A' ' 34' ' ' PRO . . . . . . . . 0 P--O5' 1.612 1.942 0 C5'-C4'-C3' 111.127 -2.915 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.952 0 O4'-C1'-N19 111.166 2.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.671 " H2'" " O4'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.044 0 C5'-C4'-C3' 111.231 -2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.671 " O4'" " H2'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.067 0 C5'-C4'-C3' 111.251 -2.833 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.44 " O4'" " H2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 O4'-C1'-N19 111.183 2.983 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.978 0 O4'-C1'-N19 111.179 2.979 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mmm . . . . . 0 N--CA 1.502 2.134 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.82 167.42 23.92 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.363 -176.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -149.6 125.51 10.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.474 -0.766 . . . . 0.0 109.601 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.58 -162.42 47.33 Favored Glycine 0 N--CA 1.502 3.057 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.439 ' OD2' ' NZ ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -147.01 154.99 41.88 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.563 -0.963 . . . . 0.0 109.148 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.478 ' HD3' ' OE1' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 62.49 -164.56 0.25 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.263 -0.898 . . . . 0.0 110.134 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 35.7 mmtt -156.74 -64.5 0.1 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.914 -1.116 . . . . 0.0 110.642 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.541 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 60.1 p -139.8 163.68 43.11 Favored Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.105 -0.997 . . . . 0.0 110.396 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.541 ' HD2' ' HB2' ' A' ' 8' ' ' SER . 36.1 Cg_endo -77.79 -158.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.315 -1.203 0 C-N-CA 122.304 2.003 . . . . 0.0 110.007 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' A' ' 9' ' ' PRO . 87.4 mt 69.57 -58.78 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 121.353 -0.842 . . . . 0.0 109.895 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -54.52 -68.35 0.19 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.276 -0.89 . . . . 0.0 109.501 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' OE1' ' HD3' ' A' ' 6' ' ' LYS . 6.8 mt-30 -54.18 -25.93 25.29 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.257 -0.902 . . . . 0.0 109.701 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.833 HG22 HD21 ' A' ' 70' ' ' LEU . 40.9 t -69.41 -39.61 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.895 -1.128 . . . . 0.0 108.086 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.45 ' CG ' HG11 ' A' ' 24' ' ' VAL . 17.4 m80 -65.56 -44.83 85.57 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 15.5 mt-10 -61.99 -59.31 5.29 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.189 0.518 . . . . 0.0 110.106 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.776 HD13 ' CD1' ' A' ' 73' ' ' LEU . 9.7 tt -63.45 -37.64 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.261 -0.899 . . . . 0.0 109.634 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.33 -57.37 20.04 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.429 HG13 ' C8 ' ' B' ' 17' ' ' ' G' . 32.3 mm -59.14 -46.75 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.285 -1.126 . . . . 0.0 108.925 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HE2' " O4'" ' B' ' 15' ' ' ' U' . 3.8 tttm -54.35 -32.06 55.92 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.481 -0.762 . . . . 0.0 110.646 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -105.46 23.19 14.18 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.071 -1.018 . . . . 0.0 110.295 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 54.96 36.58 27.17 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.017 -1.052 . . . . 0.0 109.729 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.652 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 9.1 mtt -113.46 109.95 19.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.972 . . . . 0.0 110.067 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 m -70.3 104.95 2.82 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.964 -1.085 . . . . 0.0 109.226 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 24' ' ' VAL . 7.4 p -68.21 98.86 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 CA-C-O 121.725 0.774 . . . . 0.0 110.28 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.872 ' HB2' HG22 ' A' ' 45' ' ' ILE . 29.8 m-70 -103.25 97.47 7.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.986 -1.072 . . . . 0.0 110.055 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -90.03 119.61 30.52 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.305 -0.872 . . . . 0.0 109.379 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 22.7 tttm -149.8 139.47 21.69 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.864 -1.147 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 93.6 t -80.31 148.0 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.203 -0.936 . . . . 0.0 109.005 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 43' ' ' ALA . 9.2 mt -81.03 -40.55 24.05 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.131 -0.98 . . . . 0.0 108.767 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.83 116.69 2.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.785 -0.572 . . . . 0.0 109.548 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.515 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 5.4 pt-20 -118.55 -165.45 1.12 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.522 -0.736 . . . . 0.0 110.091 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.668 ' HB3' ' HB3' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -103.12 118.78 37.57 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.127 -0.983 . . . . 0.0 110.214 -179.683 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.0 -156.44 47.55 Favored Glycine 0 N--CA 1.501 3.003 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -78.81 -34.0 1.43 Allowed 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 122.36 2.04 . . . . 0.0 110.904 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.587 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . . . -160.64 38.27 0.16 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.058 -1.026 . . . . 0.0 111.136 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.668 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 16.7 t-160 -78.64 75.96 5.14 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.603 -1.311 . . . . 0.0 109.113 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.414 ' C ' HD22 ' A' ' 39' ' ' ASN . 59.0 mtm 59.6 86.94 0.09 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.382 -0.824 . . . . 0.0 110.018 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -57.81 107.04 0.41 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.893 -1.129 . . . . 0.0 109.994 179.533 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.451 ' OD1' ' CB ' ' A' ' 61' ' ' SER . 8.7 m-80 -144.76 -161.83 1.37 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.41 -0.806 . . . . 0.0 109.912 -179.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.515 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 4.4 m-85 80.94 -79.01 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.859 -0.525 . . . . 0.0 111.608 177.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.487 HG21 HD12 ' A' ' 29' ' ' LEU . 3.2 mp -142.28 107.94 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.761 -1.212 . . . . 0.0 110.707 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 1.7 m -104.45 121.7 43.98 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.766 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -107.66 135.28 49.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.383 -0.823 . . . . 0.0 109.869 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.49 ' HB3' ' HG3' ' A' ' 69' ' ' MET . 42.5 t -120.99 121.03 37.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.234 -0.916 . . . . 0.0 109.531 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.872 HG22 ' HB2' ' A' ' 25' ' ' HIS . 11.5 tt -108.37 145.01 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.138 -0.976 . . . . 0.0 109.911 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 22' ' ' MET . 2.9 m -134.17 111.01 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.56 -0.713 . . . . 0.0 109.483 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.49 -82.35 0.28 Allowed Glycine 0 N--CA 1.5 2.948 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -142.82 16.98 1.97 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.229 -1.159 . . . . 0.0 111.014 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -135.04 138.78 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.931 -1.106 . . . . 0.0 109.042 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.663 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 2.6 p -123.78 156.76 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.84 -1.163 . . . . 0.0 111.056 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' CG2' ' A' ' 50' ' ' VAL . 8.4 m -125.21 98.66 5.74 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 8.0 mt-10 -83.93 141.24 31.4 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.267 -0.896 . . . . 0.0 109.441 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 54' ' ' GLU . . . 176.82 -124.87 0.98 Allowed Glycine 0 N--CA 1.497 2.707 0 C-N-CA 119.502 -1.332 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.574 ' HA ' ' HG3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER 82.73 -148.91 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.032 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.23 -115.71 0.35 Allowed Glycine 0 N--CA 1.499 2.892 0 C-N-CA 119.52 -1.324 . . . . 0.0 111.167 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 60' ' ' VAL . 7.3 m-20 -132.02 -170.23 2.37 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.985 -1.303 . . . . 0.0 109.829 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.429 ' HA2' ' OD1' ' A' ' 39' ' ' ASN . . . -85.51 -149.77 12.65 Favored Glycine 0 N--CA 1.499 2.846 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 57' ' ' GLY . 11.1 tptp 71.73 -56.43 0.64 Allowed 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.472 -1.017 . . . . 0.0 110.602 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' C ' HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -155.68 44.27 0.45 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.311 -0.868 . . . . 0.0 110.084 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.952 HG12 ' HB2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -163.11 -168.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 O-C-N 121.378 -0.826 . . . . 0.0 109.144 -179.369 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.592 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER 77.35 121.35 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.867 0.841 . . . . 0.0 110.165 179.753 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 61' ' ' SER . 2.8 ttpm? 77.32 29.26 0.57 Allowed 'General case' 0 N--CA 1.503 2.21 0 CA-C-O 122.251 1.024 . . . . 0.0 108.697 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 14.0 tttm -167.4 -60.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.952 ' HB2' HG12 ' A' ' 60' ' ' VAL . 15.7 tpt180 -44.98 -49.99 10.89 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.224 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . . . -69.62 -48.63 59.35 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.949 -1.094 . . . . 0.0 110.47 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 9' ' ' PRO . . . -57.82 -43.63 85.88 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.167 -0.958 . . . . 0.0 110.481 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 49.2 mt-10 -58.54 -50.85 72.27 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.591 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.31 -37.52 77.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.444 -0.785 . . . . 0.0 109.465 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.526 ' CE ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -64.23 -44.16 92.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.993 -1.067 . . . . 0.0 109.399 179.407 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.833 HD21 HG22 ' A' ' 13' ' ' VAL . 32.5 mt -54.77 -53.34 56.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.303 -0.873 . . . . 0.0 110.248 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 68' ' ' LYS . 9.0 m -61.1 -28.96 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 120.952 -1.092 . . . . 0.0 110.026 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.627 ' HA ' ' NZ ' ' A' ' 75' ' ' LYS . 5.3 mm-40 -78.35 -49.33 13.78 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.679 -1.263 . . . . 0.0 110.176 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.776 ' CD1' HD13 ' A' ' 16' ' ' ILE . 1.5 pp -70.87 -22.11 62.33 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.978 -1.076 . . . . 0.0 110.901 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -9.99 59.06 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.941 -1.099 . . . . 0.0 110.824 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.627 ' NZ ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -90.24 -24.88 20.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.978 -1.076 . . . . 0.0 110.135 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 O-C-N 121.479 -0.763 . . . . 0.0 110.302 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.849 " H4'" ' OP1' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C5'-C4'-C3' 111.037 -2.975 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.849 ' OP1' " H4'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 P-O3'-C3' 123.615 3.263 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.293 0 O4'-C1'-N19 111.017 2.817 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 111.181 2.981 . 0.494 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 C5'-C4'-C3' 111.299 -2.801 . 0.116 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 0 C5'-C4'-C3' 111.36 -2.76 . 0.027 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.448 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.051 0 C5'-C4'-C3' 111.251 -2.833 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.47 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.024 0 O4'-C1'-N19 111.071 2.871 . 0.152 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.177 0 C5'-C4'-C3' 111.303 -2.798 . 0.145 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.131 0 O4'-C1'-N19 111.056 2.856 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.499 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.162 0 O4'-C1'-N19 111.293 3.093 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.496 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.955 0 C5'-C4'-C3' 111.13 -2.914 . 0.275 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.551 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.053 0 C5'-C4'-C3' 111.084 -2.944 . 0.209 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.449 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C3'-C2'-C1' 104.484 3.316 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.484 " O4'" ' HE2' ' A' ' 19' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.856 0 C5'-C4'-C3' 111.417 -2.722 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.449 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.89 0 C5'-C4'-C3' 111.115 -2.923 . 0.704 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.626 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.997 0 C5'-C4'-C3' 111.021 -2.986 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.661 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.246 0 C5'-C4'-C3' 111.336 -2.776 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.661 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.067 0 C5'-C4'-C3' 111.232 -2.845 . 0.233 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.443 " H2'" ' N3 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.082 0 C5'-C4'-C3' 111.001 -2.999 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.891 0 C5'-C4'-C3' 111.131 -2.913 . 0.087 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.519 " O2'" ' H8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C5'-C4'-C3' 111.105 -2.93 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.519 ' H8 ' " O2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.001 0 C5'-C4'-C3' 111.06 -2.96 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C5'-C4'-C3' 111.272 -2.819 . 0.182 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.07 0 C5'-C4'-C3' 111.271 -2.82 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.073 0 O4'-C1'-N19 111.084 2.884 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.076 0 O4'-C1'-N19 111.186 2.986 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.067 0 O4'-C1'-N19 110.949 2.749 . 0.216 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.511 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.205 0 C5'-C4'-C3' 111.253 -2.831 . 0.165 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.583 " H1'" ' NE2' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C5'-C4'-C3' 111.203 -2.865 . 0.479 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 121.39 0.614 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.49 162.32 19.93 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.199 0.523 . . . . 0.0 109.992 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -135.94 159.46 41.63 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.479 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . . . -179.49 -110.35 0.28 Allowed Glycine 0 N--CA 1.494 2.548 0 N-CA-C 108.821 -1.712 . . . . 0.0 108.821 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.634 ' HB3' ' HE3' ' A' ' 6' ' ' LYS . 18.8 t70 53.96 178.43 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.895 -0.768 . . . . 0.0 109.883 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.634 ' HE3' ' HB3' ' A' ' 5' ' ' ASP . 0.4 OUTLIER 58.53 53.1 6.39 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.416 -1.427 . . . . 0.0 109.519 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -47.46 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.505 0 O-C-N 121.275 -0.891 . . . . 0.0 110.82 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 p -134.49 85.04 38.53 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.456 -0.778 . . . . 0.0 109.456 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.434 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 36.5 Cg_endo -77.01 -14.54 16.89 Favored 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 122.733 2.289 . . . . 0.0 112.182 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -130.16 -55.72 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.895 -1.128 . . . . 0.0 110.143 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -69.04 0.15 Allowed 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.599 -0.688 . . . . 0.0 110.489 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.15 -37.55 54.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.317 -0.864 . . . . 0.0 110.594 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.998 HG22 HD21 ' A' ' 70' ' ' LEU . 58.1 t -58.8 -40.65 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.611 -1.306 . . . . 0.0 108.08 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -70.02 -49.15 54.26 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' HA ' " O2'" ' B' ' 15' ' ' ' U' . 5.4 mt-10 -55.78 -43.19 76.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.602 -0.686 . . . . 0.0 110.672 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -81.24 -39.63 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.837 -1.164 . . . . 0.0 109.101 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.516 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -57.4 -55.5 30.1 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.94 HD11 ' C8 ' ' B' ' 17' ' ' ' G' . 79.6 mt -56.89 -50.01 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.373 -1.075 . . . . 0.0 109.419 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -37.17 83.67 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.286 -0.884 . . . . 0.0 110.628 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -87.34 20.03 2.99 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.88 -1.138 . . . . 0.0 110.921 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.2 34.86 24.54 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.069 -1.019 . . . . 0.0 110.441 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.471 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 14.1 mtp -100.48 138.25 37.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.811 -1.181 . . . . 0.0 109.79 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -57.32 -51.24 70.19 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.442 -0.786 . . . . 0.0 110.46 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.516 HG21 ' HA3' ' A' ' 17' ' ' GLY . 40.2 t 62.95 72.83 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-O 121.729 0.776 . . . . 0.0 109.326 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.647 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 4.6 m-70 -119.77 120.74 37.43 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.776 -1.202 . . . . 0.0 109.831 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -107.1 125.16 50.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.484 -0.76 . . . . 0.0 109.294 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -142.81 129.63 20.5 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.136 -0.977 . . . . 0.0 109.874 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.831 HG11 ' HG2' ' A' ' 31' ' ' GLU . 34.8 t -87.08 143.45 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.985 -1.072 . . . . 0.0 108.819 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.585 HD12 HG12 ' A' ' 41' ' ' ILE . 3.2 mt -91.39 -37.27 13.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.242 -0.911 . . . . 0.0 109.646 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.44 128.37 8.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.518 -0.738 . . . . 0.0 109.822 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.831 ' HG2' HG11 ' A' ' 28' ' ' VAL . 1.7 mt-10 -122.36 115.73 22.79 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.58 -162.39 0.22 Allowed 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.22 -124.97 0.75 Allowed Glycine 0 N--CA 1.498 2.831 0 O-C-N 120.61 -1.306 . . . . 0.0 109.998 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HG2' ' NE2' ' A' ' 36' ' ' HIS . 35.4 Cg_endo -77.82 -61.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.309 2.006 . . . . 0.0 110.515 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.87 40.51 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.317 -0.864 . . . . 0.0 110.044 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.414 ' NE2' ' HG2' ' A' ' 34' ' ' PRO . 5.3 p-80 176.66 39.91 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.171 -0.956 . . . . 0.0 110.455 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.38 -54.68 2.71 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.903 -1.123 . . . . 0.0 109.834 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' CE ' " H4'" ' B' ' 3' ' ' ' A' . 8.8 ttmt 54.84 25.18 6.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.615 -0.678 . . . . 0.0 111.267 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -126.28 145.55 50.37 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.141 -0.974 . . . . 0.0 109.399 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 61' ' ' SER . 65.2 m-85 -135.19 135.68 41.2 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.185 -0.947 . . . . 0.0 110.004 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.585 HG12 HD12 ' A' ' 29' ' ' LEU . 1.6 tp -114.11 98.77 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.009 -1.057 . . . . 0.0 109.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.553 HG21 ' HA ' ' A' ' 62' ' ' LYS . 12.6 m -87.83 120.24 28.95 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.263 -0.898 . . . . 0.0 110.515 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.536 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -103.02 140.94 36.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 108.555 178.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.1 p -136.64 135.72 38.53 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.794 -1.192 . . . . 0.0 110.337 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.788 ' HB ' HG13 ' A' ' 50' ' ' VAL . 17.3 tt -123.01 133.83 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.182 -0.949 . . . . 0.0 109.554 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 38.7 t -129.44 102.55 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.167 -0.958 . . . . 0.0 109.722 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.33 -110.83 3.47 Favored Glycine 0 N--CA 1.498 2.828 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -109.67 20.36 18.2 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.393 -1.063 . . . . 0.0 110.685 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 91.9 mt -127.29 134.78 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.882 -1.136 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.788 HG13 ' HB ' ' A' ' 45' ' ' ILE . 1.1 t -122.94 145.29 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.165 -0.959 . . . . 0.0 109.248 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.9 m -141.67 135.39 29.84 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.473 -0.767 . . . . 0.0 110.121 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -100.16 142.95 30.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.352 -0.842 . . . . 0.0 109.584 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -126.17 90.16 0.37 Allowed Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -68.88 74.4 0.29 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.509 -0.995 . . . . 0.0 110.408 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.426 ' HA2' ' HB ' ' A' ' 60' ' ' VAL . . . -67.45 77.39 0.19 Allowed Glycine 0 N--CA 1.499 2.862 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 54' ' ' GLU . 10.3 m-80 -58.41 -54.18 49.88 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.534 -0.98 . . . . 0.0 110.515 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.538 ' O ' ' HB2' ' A' ' 58' ' ' LYS . . . -174.99 176.97 47.17 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 119.888 -1.149 . . . . 0.0 110.541 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 22.8 mttp 71.65 64.22 0.15 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.941 -0.741 . . . . 0.0 110.965 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.65 53.2 2.08 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 121.412 -0.805 . . . . 0.0 111.852 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.566 ' O ' ' HB3' ' A' ' 61' ' ' SER . 16.1 m -139.66 179.21 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 120.637 -1.289 . . . . 0.0 110.852 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.566 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 46.0 t 83.61 118.98 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.553 ' HA ' HG21 ' A' ' 42' ' ' THR . 21.2 mttm 80.1 -48.3 0.34 Allowed 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 36.4 tttm -87.35 -56.62 3.28 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.136 -0.977 . . . . 0.0 109.171 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -47.61 -45.53 27.68 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.714 -0.616 . . . . 0.0 111.579 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.481 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -64.41 -39.21 93.41 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.161 -0.962 . . . . 0.0 110.697 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 9' ' ' PRO . . . -71.45 -49.16 44.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.27 -0.894 . . . . 0.0 109.914 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 34.0 mt-10 -49.78 -54.18 20.65 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.645 -0.659 . . . . 0.0 110.001 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.572 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 2.9 tttp -56.8 -45.94 81.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.526 -0.734 . . . . 0.0 109.31 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.1 tpp -49.37 -50.74 38.77 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.036 -1.04 . . . . 0.0 109.789 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.998 HD21 HG22 ' A' ' 13' ' ' VAL . 64.3 mt -66.14 -40.63 90.76 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.14 -0.975 . . . . 0.0 109.847 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.95 -45.74 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.377 -0.827 . . . . 0.0 110.345 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 1.6 mm-40 -72.57 -47.52 47.41 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.232 -0.917 . . . . 0.0 109.296 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 73' ' ' LEU . 59.6 mt -58.25 -35.5 71.83 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.952 -1.093 . . . . 0.0 110.314 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -81.23 -15.52 55.39 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.919 -1.113 . . . . 0.0 109.887 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HE3' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -98.59 -35.53 10.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.063 -1.023 . . . . 0.0 109.93 179.492 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 117.684 -1.15 . . . . 0.0 109.992 -179.492 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 0 O4'-C1'-N19 110.932 2.732 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.141 0 C5'-C4'-C3' 111.054 -2.964 . 0.023 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.408 " H4'" ' CE ' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.611 1.847 0 O4'-C1'-N19 111.315 3.115 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.094 0 C5'-C4'-C3' 111.367 -2.755 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.014 0 O4'-C1'-N19 111.013 2.813 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.917 0 O4'-C1'-N19 111.008 2.808 . 0.281 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.511 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.925 0 O4'-C1'-N19 110.947 2.747 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.511 ' C6 ' " H2'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.114 0 C5'-C4'-C3' 111.32 -2.787 . 0.095 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 O4'-C1'-N19 110.896 2.696 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.083 0 C5'-C4'-C3' 111.107 -2.929 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 0 O4'-C1'-N19 111.035 2.835 . 0.133 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.476 " H2'" ' C6 ' ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.99 0 C5'-C4'-C3' 111.189 -2.874 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.529 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.974 0 C5'-C4'-C3' 111.149 -2.901 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.447 " H2'" ' C5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C3'-C2'-C1' 104.587 3.43 . 0.028 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.474 " O2'" ' HA ' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.612 1.94 0 C5'-C4'-C3' 111.346 -2.769 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.447 ' C5 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.143 0 C5'-C4'-C3' 111.436 -2.71 . 0.456 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.94 ' C8 ' HD11 ' A' ' 18' ' ' ILE . . . . . . . . 0 P--O5' 1.614 2.053 0 O4'-C1'-N19 111.061 2.861 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.409 " H4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.139 0 C5'-C4'-C3' 111.175 -2.883 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.408 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.059 0 C5'-C4'-C3' 110.853 -3.098 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.014 0 C5'-C4'-C3' 111.028 -2.981 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.958 0 C5'-C4'-C3' 111.321 -2.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.02 0 C5'-C4'-C3' 111.302 -2.799 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.904 0 C5'-C4'-C3' 111.043 -2.971 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.881 0 O4'-C1'-N19 111.179 2.979 . 0.117 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.07 0 C5'-C4'-C3' 111.318 -2.788 . 0.14 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.153 0 O4'-C1'-N19 111.034 2.834 . 0.039 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.503 " O2'" " H5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.082 0 C5'-C4'-C3' 111.128 -2.914 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.503 " H5'" " O2'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.885 0 C5'-C4'-C3' 111.051 -2.966 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.009 0 C5'-C4'-C3' 111.001 -3.0 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 111.273 3.073 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ttp . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -133.8 -65.81 0.66 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.502 -0.748 . . . . 0.0 110.121 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 118.87 10.53 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.386 -0.821 . . . . 0.0 109.514 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.65 174.05 44.52 Favored Glycine 0 N--CA 1.494 2.549 0 C-N-CA 119.503 -1.332 . . . . 0.0 110.986 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -106.36 -52.42 2.79 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.899 0.857 . . . . 0.0 110.016 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.32 143.67 34.96 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 122.087 0.946 . . . . 0.0 111.397 -178.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.639 ' HE3' " O2'" ' B' ' 19' ' ' ' G' . 2.0 mmtm -93.19 66.49 4.06 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.716 0.77 . . . . 0.0 109.191 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.62 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 29.7 m -55.81 -48.33 96.83 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.252 -0.905 . . . . 0.0 111.01 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.62 ' HD3' ' HB2' ' A' ' 8' ' ' SER . 34.8 Cg_endo -75.74 145.1 28.63 Favored 'Trans proline' 0 C--N 1.318 -1.038 0 C-N-CA 121.656 1.57 . . . . 0.0 110.714 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.521 HG13 ' HB2' ' A' ' 66' ' ' ALA . 3.8 mt 69.67 -60.58 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.737 -0.602 . . . . 0.0 110.209 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.527 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -63.28 -74.95 0.09 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.541 -0.725 . . . . 0.0 110.091 -179.524 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 8' ' ' SER . 3.2 mt-30 -50.5 -35.93 31.55 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.997 -1.064 . . . . 0.0 109.62 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.103 HG22 HD21 ' A' ' 70' ' ' LEU . 98.0 t -62.21 -46.2 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.264 -0.897 . . . . 0.0 108.844 178.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -65.72 -39.7 91.45 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HG3' ' N2 ' ' B' ' 17' ' ' ' G' . 1.2 mt-10 -61.03 -52.35 65.33 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.885 -0.509 . . . . 0.0 110.643 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 1.4 pp -76.3 -32.25 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.691 -1.255 . . . . 0.0 109.955 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.584 ' O ' ' HB3' ' A' ' 22' ' ' MET . . . -64.33 -52.17 46.14 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 107.617 -2.193 . . . . 0.0 107.617 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 18' ' ' ILE . 18.0 mt -93.87 51.78 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -86.41 101.72 13.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.011 -1.68 . . . . 0.0 111.76 -177.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 43.1 mtt85 40.25 39.12 0.62 Allowed 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.668 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 20' ' ' ARG . 1.2 t-20 166.32 -67.94 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.514 0 O-C-N 120.891 -1.131 . . . . 0.0 111.393 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.584 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 3.6 mtm -58.02 165.37 1.89 Allowed 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.785 0.803 . . . . 0.0 111.105 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -123.66 151.57 42.93 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.257 -0.902 . . . . 0.0 109.512 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 46' ' ' VAL . 69.4 t -131.4 124.76 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.329 -0.857 . . . . 0.0 109.578 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.76 ' HB2' HG22 ' A' ' 45' ' ' ILE . 75.8 m-70 -122.92 125.41 45.27 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.267 -0.896 . . . . 0.0 109.617 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.404 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 4.7 m-85 -123.39 108.07 12.31 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.377 -0.827 . . . . 0.0 109.8 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HE3' ' HG3' ' A' ' 32' ' ' GLU . 4.7 tttp -132.15 135.37 46.33 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.098 -1.001 . . . . 0.0 110.184 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.626 HG21 ' HG2' ' A' ' 38' ' ' LYS . 3.5 t -76.21 142.07 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.379 -0.825 . . . . 0.0 109.084 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.711 HD21 ' CB ' ' A' ' 43' ' ' ALA . 7.7 mt -86.18 -35.32 20.17 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.049 -1.032 . . . . 0.0 108.539 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HB2' ' HB2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -103.83 133.09 49.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.616 -0.678 . . . . 0.0 109.888 179.678 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.676 ' HG2' ' HB2' ' A' ' 37' ' ' MET . 0.3 OUTLIER 70.51 -76.31 0.06 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.56 -0.713 . . . . 0.0 111.36 179.245 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.616 ' HG3' ' HE3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER 61.11 -153.28 0.37 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.179 -0.951 . . . . 0.0 109.826 -179.291 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . . . 81.28 170.43 43.61 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 120.816 -1.177 . . . . 0.0 110.189 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.2 -90.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.613 2.209 . . . . 0.0 110.575 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.704 ' HB1' ' C2 ' ' B' ' 3' ' ' ' A' . . . -84.04 70.9 10.56 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.135 -0.978 . . . . 0.0 109.584 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.32 -170.7 2.87 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.324 -0.86 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.676 ' HB2' ' HG2' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -57.68 -37.65 73.82 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.774 -1.204 . . . . 0.0 110.201 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.626 ' HG2' HG21 ' A' ' 28' ' ' VAL . 18.8 tttp 33.74 72.07 0.09 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.641 -0.662 . . . . 0.0 112.132 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.42 ' O ' ' CB ' ' A' ' 40' ' ' PHE . 8.2 m-80 -157.68 -160.41 0.92 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.194 -0.941 . . . . 0.0 109.783 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 24.7 m-85 79.86 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.592 -0.692 . . . . 0.0 111.634 178.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.45 130.5 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.593 -1.317 . . . . 0.0 110.494 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.671 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -123.1 133.27 54.3 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.62 -0.675 . . . . 0.0 109.436 179.369 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.711 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -105.5 120.11 40.81 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 20.5 p -120.92 149.37 42.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.059 -1.026 . . . . 0.0 110.882 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.76 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.9 tt -131.82 142.24 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.188 -0.945 . . . . 0.0 109.806 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 24' ' ' VAL . 95.8 t -135.4 113.59 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.531 -0.73 . . . . 0.0 109.24 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.527 ' HA3' ' SD ' ' A' ' 22' ' ' MET . . . 59.6 -99.74 0.16 Allowed Glycine 0 N--CA 1.502 3.04 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.3 m -122.7 23.96 9.31 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.199 -1.177 . . . . 0.0 110.635 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 90.2 mt -130.26 137.16 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 120.934 -1.103 . . . . 0.0 109.515 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.41 146.66 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.182 -0.949 . . . . 0.0 108.894 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.64 HG21 ' CA ' ' A' ' 69' ' ' MET . 27.3 m -146.2 125.08 12.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.401 -0.812 . . . . 0.0 110.273 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HG2' ' HA ' ' A' ' 43' ' ' ALA . 22.0 mt-10 -111.1 151.02 28.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.967 -1.083 . . . . 0.0 109.721 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 54' ' ' GLU . . . -174.81 -110.85 0.26 Allowed Glycine 0 N--CA 1.5 2.901 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.671 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 1.1 tp10 85.72 -82.9 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.402 0 O-C-N 122.109 -0.642 . . . . 0.0 109.921 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.79 166.87 15.42 Favored Glycine 0 N--CA 1.503 3.141 0 O-C-N 120.789 -1.194 . . . . 0.0 110.213 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -106.61 72.66 0.92 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.946 -1.326 . . . . 0.0 110.043 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.26 134.85 2.16 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 109.309 -1.517 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -37.52 6.8 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.073 -1.251 . . . . 0.0 111.505 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -72.71 -32.11 65.49 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.258 -0.901 . . . . 0.0 110.562 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.755 HG12 ' HB2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -100.0 116.32 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.039 -1.038 . . . . 0.0 109.46 179.219 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.649 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 69.5 p -176.93 -104.74 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 10' ' ' ILE . 37.8 mmtt -53.37 -36.78 61.77 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.007 -1.058 . . . . 0.0 109.071 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 13.5 mtpt -67.76 -56.14 10.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.578 -0.702 . . . . 0.0 109.108 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.755 ' HB2' HG12 ' A' ' 60' ' ' VAL . 8.7 ttt-85 -63.48 -41.21 98.59 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.394 -0.816 . . . . 0.0 110.615 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.58 75.09 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.045 -1.034 . . . . 0.0 109.363 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.521 ' HB2' HG13 ' A' ' 10' ' ' ILE . . . -66.82 -50.89 61.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.347 -0.846 . . . . 0.0 109.762 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -56.02 -48.93 75.02 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.398 -0.814 . . . . 0.0 109.284 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 6.4 tmtt? -52.73 -42.72 65.15 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.303 -0.873 . . . . 0.0 109.515 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.64 ' CA ' HG21 ' A' ' 51' ' ' THR . 3.8 ttt -71.66 -38.33 70.69 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.852 -1.155 . . . . 0.0 109.152 178.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.103 HD21 HG22 ' A' ' 13' ' ' VAL . 24.5 mt -59.67 -50.07 75.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.143 -0.973 . . . . 0.0 108.956 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.455 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 25.2 m -66.42 -22.76 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 120.934 -1.104 . . . . 0.0 110.214 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.73 -53.96 6.59 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.481 HD11 ' HG2' ' A' ' 69' ' ' MET . 20.6 mt -62.81 -32.4 73.58 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.68 -0.637 . . . . 0.0 110.73 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -77.77 11.76 2.0 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.826 -1.171 . . . . 0.0 111.245 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -127.77 -7.19 5.6 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.747 -1.221 . . . . 0.0 111.629 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.0 110.07 -179.643 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.434 1.631 0 O4'-C1'-N19 111.237 3.037 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.077 0 C5'-C4'-C3' 111.006 -2.996 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.704 ' C2 ' ' HB1' ' A' ' 35' ' ' ALA . . . . . . . . 0 O4'--C1' 1.438 1.988 0 C5'-C4'-C3' 111.073 -2.951 . 0.206 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.529 " H1'" ' HB2' ' A' ' 35' ' ' ALA . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 O4'-C1'-N19 111.101 2.901 . 0.379 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.279 0 O4'-C1'-N19 111.041 2.841 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O4'-C1'-N19 111.029 2.829 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.437 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.066 0 O4'-C1'-N19 111.072 2.872 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.437 ' C6 ' " H2'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.256 0 O4'-C1'-N19 111.263 3.063 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.986 0 O4'-C1'-N19 110.925 2.725 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 110.955 2.755 . 0.282 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.574 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.164 0 C5'-C4'-C3' 111.213 -2.858 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.574 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.017 0 C5'-C4'-C3' 111.061 -2.96 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.48 " H2'" " O4'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.932 0 O4'-C1'-N19 111.809 3.609 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.534 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C3'-C2'-C1' 104.427 3.253 . 0.194 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 O4'-C1'-N19 111.142 2.942 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.534 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.948 0 C5'-C4'-C3' 111.049 -2.967 . 0.424 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.764 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.048 0 O4'-C1'-N19 111.293 3.093 . 0.016 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.764 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O4'-C1'-N19 110.996 2.796 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.639 " O2'" ' HE3' ' A' ' 7' ' ' LYS . . . . . . . . 0 P--O5' 1.613 1.96 0 O4'-C1'-N19 110.948 2.748 . 0.185 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.349 0 O4'-C1'-N19 111.271 3.071 . 0.093 1f . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.156 0 C5'-C4'-C3' 111.329 -2.78 . 0.142 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.441 " O2'" " H5'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.927 0 O4'-C1'-N19 111.134 2.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.482 " H2'" " O4'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.952 0 C5'-C4'-C3' 111.376 -2.749 . 0.108 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . 0.482 " O4'" " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.099 0 C5'-C4'-C3' 111.283 -2.811 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.843 0 C5'-C4'-C3' 111.236 -2.843 . 0.309 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.08 0 C5'-C4'-C3' 111.119 -2.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.164 0 O4'-C1'-N19 111.106 2.906 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.19 0 O4'-C1'-N19 111.093 2.893 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.476 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.949 0 C5'-C4'-C3' 110.982 -3.012 . 0.099 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.476 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.196 0 C5'-C4'-C3' 110.823 -3.118 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttp . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.32 -76.38 0.25 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -178.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -89.46 -86.29 0.19 Allowed 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.26 83.1 1.65 Allowed Glycine 0 N--CA 1.502 3.053 0 O-C-N 120.806 -1.184 . . . . 0.0 111.17 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -98.19 163.13 12.86 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.334 -1.098 . . . . 0.0 109.646 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt 56.92 22.72 7.44 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.364 -0.835 . . . . 0.0 111.224 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.609 ' C ' ' HD3' ' A' ' 9' ' ' PRO . 11.5 tttt -92.06 44.95 1.19 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.572 -1.33 . . . . 0.0 109.86 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.627 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 54.0 m -118.95 64.31 6.52 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 121.197 -0.939 . . . . 0.0 110.139 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.609 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 36.7 Cg_endo -78.5 -48.59 0.09 OUTLIER 'Trans proline' 0 C--N 1.317 -1.115 0 C-N-CA 122.227 1.952 . . . . 0.0 111.94 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.7 mt -131.57 -67.17 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.748 -1.22 . . . . 0.0 111.013 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 12' ' ' GLN . 66.2 p -42.72 -66.39 0.37 Allowed 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.224 -0.923 . . . . 0.0 110.608 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.627 ' HB3' ' HB3' ' A' ' 8' ' ' SER . 0.0 OUTLIER -52.3 -40.27 61.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.314 -0.866 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.869 HG22 ' HG ' ' A' ' 70' ' ' LEU . 40.4 t -59.58 -43.18 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -64.53 -45.17 88.32 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.489 ' CD ' ' HA ' ' A' ' 12' ' ' GLN . 28.0 mt-10 -55.04 -50.16 69.79 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.532 -0.73 . . . . 0.0 109.182 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.69 -45.78 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.312 -0.868 . . . . 0.0 109.401 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -56.24 -53.55 42.03 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.8 -44.91 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.469 -1.018 . . . . 0.0 108.99 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.5 tptt -54.26 -45.6 72.43 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.336 -0.852 . . . . 0.0 109.81 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HD2' ' SD ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -91.65 14.78 14.18 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.904 . . . . 0.0 110.364 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 51.34 38.14 20.8 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.131 -0.98 . . . . 0.0 109.912 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.406 ' SD ' ' HD2' ' A' ' 20' ' ' ARG . 3.6 mtt -97.71 134.52 40.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.209 -0.932 . . . . 0.0 110.129 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.537 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -73.74 79.17 1.56 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.041 -1.037 . . . . 0.0 109.014 179.115 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.471 HG12 ' HE1' ' A' ' 26' ' ' PHE . 15.8 t -88.44 97.98 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.517 -0.739 . . . . 0.0 109.32 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.537 ' NE2' HG22 ' A' ' 23' ' ' THR . 11.4 m-70 -132.15 116.46 17.02 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.08 -1.012 . . . . 0.0 109.803 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.661 ' HB3' ' CB ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -130.69 154.82 47.53 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.982 -1.074 . . . . 0.0 110.712 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.98 151.81 6.15 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.448 -0.782 . . . . 0.0 109.868 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.639 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 4.8 m -76.33 150.83 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.033 -1.042 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 43' ' ' ALA . 6.5 mt -97.08 -42.8 7.69 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.164 -0.96 . . . . 0.0 109.027 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 tpt85 -149.97 141.21 23.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.532 -0.73 . . . . 0.0 109.41 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.79 155.4 18.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.629 -0.669 . . . . 0.0 109.366 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -54.61 134.32 46.79 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.677 -0.64 . . . . 0.0 110.056 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.06 -68.43 0.96 Allowed Glycine 0 N--CA 1.5 2.925 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' HIS . 36.5 Cg_endo -80.41 129.72 7.67 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.326 2.017 . . . . 0.0 110.04 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.48 78.3 0.07 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.028 . . . . 0.0 109.638 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -140.01 -56.32 0.55 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.984 -1.073 . . . . 0.0 110.086 -179.21 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.516 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 2.0 mtm -90.16 -39.6 12.74 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.122 -0.986 . . . . 0.0 110.152 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER 50.38 55.5 9.38 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.502 -0.749 . . . . 0.0 111.905 178.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.603 ' HA ' ' HA ' ' A' ' 56' ' ' ASN . 66.1 m-20 -114.33 171.24 7.74 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.142 -0.974 . . . . 0.0 109.668 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.455 ' HB3' ' OE1' ' A' ' 54' ' ' GLU . 22.4 m-85 -133.03 151.19 52.08 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.066 -1.021 . . . . 0.0 110.609 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.418 HG23 ' HA2' ' A' ' 53' ' ' GLY . 3.2 mp -143.58 105.62 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.426 -0.796 . . . . 0.0 109.048 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 1.1 m -108.31 124.7 50.73 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.087 -1.008 . . . . 0.0 110.571 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.767 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -80.8 122.68 27.48 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.661 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . 19.3 p -123.21 136.27 54.66 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.167 -0.958 . . . . 0.0 111.374 -178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.702 ' CG1' HG13 ' A' ' 50' ' ' VAL . 1.6 mt -117.51 134.8 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.737 HG22 ' HE3' ' A' ' 69' ' ' MET . 5.6 m -133.24 88.3 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-O 121.794 0.806 . . . . 0.0 109.065 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.514 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 49.38 75.02 0.22 Allowed Glycine 0 N--CA 1.501 3.027 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 t 79.17 -43.14 0.31 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.475 -1.015 . . . . 0.0 111.369 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.706 ' HB ' HG23 ' A' ' 46' ' ' VAL . 43.5 mt -71.98 135.52 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.608 -1.308 . . . . 0.0 109.204 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.702 HG13 ' CG1' ' A' ' 45' ' ' ILE . 2.1 t -135.43 148.26 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 120.826 -1.171 . . . . 0.0 110.718 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.71 157.1 34.52 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 4.3 pt-20 -147.55 159.09 44.14 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.403 -1.435 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' HA2' HG23 ' A' ' 41' ' ' ILE . . . 127.2 166.53 12.15 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.842 ' HG3' ' HB2' ' A' ' 65' ' ' ALA . 1.5 tt0 -160.43 -163.66 1.13 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.986 -1.302 . . . . 0.0 111.051 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' HA2' ' NH1' ' A' ' 64' ' ' ARG . . . -93.9 -154.71 31.26 Favored Glycine 0 N--CA 1.5 2.965 0 O-C-N 121.35 -0.844 . . . . 0.0 111.295 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.603 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -115.93 39.18 3.11 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.501 -0.999 . . . . 0.0 110.448 -178.862 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.63 156.5 13.41 Favored Glycine 0 N--CA 1.502 3.046 0 O-C-N 120.755 -1.216 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.18 -35.01 24.46 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.663 -0.904 . . . . 0.0 111.73 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -74.81 -37.31 62.35 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.998 -1.064 . . . . 0.0 110.245 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG12 ' HD3' ' A' ' 64' ' ' ARG . 3.8 t -94.27 8.74 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.232 -0.917 . . . . 0.0 110.242 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.647 ' OG ' ' N ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -87.71 -106.53 0.07 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.039 -1.038 . . . . 0.0 109.706 -179.023 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.647 ' N ' ' OG ' ' A' ' 61' ' ' SER . 37.8 pttt -45.02 -38.57 4.92 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.816 -1.177 . . . . 0.0 111.126 -179.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.604 ' CE ' ' HG3' ' A' ' 67' ' ' GLU . 1.6 tptm -60.95 -39.07 88.08 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.041 -1.037 . . . . 0.0 109.796 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.459 ' HD3' HG12 ' A' ' 60' ' ' VAL . 12.7 ttt-85 -77.23 -46.54 22.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.141 -0.974 . . . . 0.0 110.325 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.842 ' HB2' ' HG3' ' A' ' 54' ' ' GLU . . . -67.29 -47.51 70.4 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.236 -0.915 . . . . 0.0 110.665 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.03 -55.23 11.44 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.93 -1.106 . . . . 0.0 111.333 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.604 ' HG3' ' CE ' ' A' ' 63' ' ' LYS . 1.4 mt-10 -55.3 -40.21 70.82 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.838 -1.164 . . . . 0.0 109.915 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -57.84 -47.84 81.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.02 -1.05 . . . . 0.0 108.986 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.737 ' HE3' HG22 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -64.11 -47.16 81.08 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.339 -0.85 . . . . 0.0 109.3 178.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.869 ' HG ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -60.55 -38.5 84.71 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.265 -0.897 . . . . 0.0 110.408 179.577 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 67' ' ' GLU . 55.1 t -62.24 -50.83 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.182 -0.948 . . . . 0.0 109.624 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -46.4 89.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.247 -0.908 . . . . 0.0 109.316 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.435 HD11 HG21 ' A' ' 46' ' ' VAL . 92.9 mt -72.32 -8.74 56.54 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.302 -0.873 . . . . 0.0 110.776 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -15.86 63.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.693 -1.255 . . . . 0.0 110.27 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.52 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -122.33 -5.12 8.84 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.104 -0.998 . . . . 0.0 111.022 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.0 mt . . . . . 0 N--CA 1.49 1.558 0 O-C-N 120.594 -1.316 . . . . 0.0 110.578 -179.146 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.559 " H2'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.82 0 C5'-C4'-C3' 111.183 -2.878 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.559 " O4'" " H2'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.979 0 O4'-C1'-N19 111.009 2.809 . 0.208 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.09 0 C5'-C4'-C3' 111.043 -2.971 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.387 0 O4'-C1'-N19 111.448 3.248 . 0.275 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.293 -2.804 . 0.027 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C3'-C2'-C1' 104.337 3.152 . 0.242 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C5'-C4'-C3' 111.226 -2.849 . 0.081 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.005 0 C5'-C4'-C3' 111.169 -2.887 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.208 0 O4'-C1'-N19 111.152 2.952 . 0.122 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.484 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.166 0 O4'-C1'-N19 111.122 2.922 . 0.339 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.484 ' C6 ' " H2'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.063 0 O4'-C1'-N19 111.044 2.844 . 0.313 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.534 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.067 0 O4'-C1'-N19 111.123 2.923 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.568 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.16 0 C5'-C4'-C3' 111.303 -2.798 . 0.026 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.643 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C3'-C2'-C1' 104.722 3.58 . 0.233 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.785 0 C5'-C4'-C3' 111.445 -2.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.643 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.886 0 C5'-C4'-C3' 111.243 -2.838 . 0.785 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.832 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.084 0 C5'-C4'-C3' 110.953 -3.031 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.832 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.23 0 C5'-C4'-C3' 110.875 -3.083 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.413 ' N2 ' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.01 0 C5'-C4'-C3' 110.893 -3.071 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.413 " H1'" ' N2 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.157 0 C5'-C4'-C3' 110.937 -3.042 . 0.027 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.967 0 C5'-C4'-C3' 111.29 -2.807 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.044 0 O4'-C1'-N19 110.987 2.787 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.051 0 C5'-C4'-C3' 111.359 -2.761 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.996 0 C5'-C4'-C3' 111.333 -2.778 . 0.177 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 O4'-C1'-N19 110.964 2.764 . 0.169 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.032 0 C5'-C4'-C3' 111.136 -2.909 . 0.025 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.954 0 O4'-C1'-N19 110.999 2.799 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.61 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.083 0 C5'-C4'-C3' 111.204 -2.864 . 0.012 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.42 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.034 0 C5'-C4'-C3' 111.145 -2.903 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.42 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C5'-C4'-C3' 111.259 -2.827 . 0.228 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.548 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 121.893 0.854 . . . . 0.0 109.087 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.99 38.12 1.91 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 122.063 0.935 . . . . 0.0 109.462 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.548 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 24.2 mp0 -76.56 153.91 34.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 109.813 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.33 -57.24 17.62 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.553 ' C ' ' HG2' ' A' ' 6' ' ' LYS . 3.1 p-10 -98.09 173.39 7.06 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.462 -1.023 . . . . 0.0 109.265 179.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.553 ' HG2' ' C ' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -145.39 89.47 1.94 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.105 -0.997 . . . . 0.0 109.046 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.517 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.58 150.84 6.47 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.202 -0.936 . . . . 0.0 110.833 -179.239 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -71.33 135.18 84.45 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.052 -1.03 . . . . 0.0 109.903 179.539 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.678 ' O ' HG23 ' A' ' 13' ' ' VAL . 36.6 Cg_endo -78.77 21.06 0.74 Allowed 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 122.617 2.212 . . . . 0.0 112.142 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.0 mt -48.44 -49.2 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 120.948 -1.095 . . . . 0.0 110.061 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 p -53.99 -60.31 3.49 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.377 -0.827 . . . . 0.0 109.45 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -53.54 -41.21 66.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.609 -0.682 . . . . 0.0 110.159 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.837 HG22 HD21 ' A' ' 70' ' ' LEU . 42.8 t -59.88 -45.27 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.94 -1.1 . . . . 0.0 108.378 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -63.81 -44.01 94.54 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 26.5 mt-10 -58.26 -48.23 81.08 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.656 -0.652 . . . . 0.0 109.499 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -59.26 -46.61 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.326 -0.859 . . . . 0.0 109.621 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 -48.61 80.26 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.642 HG13 HG21 ' A' ' 24' ' ' VAL . 43.5 mt -62.46 -49.42 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.417 -1.049 . . . . 0.0 109.632 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 4.6 tttp -54.29 -39.78 67.27 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.358 -0.839 . . . . 0.0 110.197 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' NH2' ' O ' ' A' ' 73' ' ' LEU . 6.3 mtm180 -91.12 18.76 6.45 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.109 -0.994 . . . . 0.0 110.341 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 52.17 38.62 24.92 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.13 -0.981 . . . . 0.0 110.181 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.536 ' SD ' HD22 ' A' ' 73' ' ' LEU . 19.7 mtp -101.64 138.73 38.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.045 -1.034 . . . . 0.0 109.9 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.544 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -56.91 110.24 0.78 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.238 -0.914 . . . . 0.0 109.824 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.642 HG21 HG13 ' A' ' 18' ' ' ILE . 41.3 t -81.92 69.37 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.869 -1.144 . . . . 0.0 109.063 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.52 ' HB2' HG22 ' A' ' 45' ' ' ILE . 10.0 m-70 -85.44 84.94 7.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.93 -1.107 . . . . 0.0 110.339 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.453 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 5.8 m-85 -109.87 115.21 29.4 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.251 -0.905 . . . . 0.0 108.749 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CE ' ' O ' ' A' ' 28' ' ' VAL . 2.2 ttpt -154.58 141.73 19.41 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.861 -1.15 . . . . 0.0 110.765 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.847 HG11 ' CG ' ' A' ' 31' ' ' GLU . 17.8 t -86.3 142.16 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.927 -1.108 . . . . 0.0 109.343 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.428 HD12 ' CG2' ' A' ' 41' ' ' ILE . 2.3 mt -95.05 -41.45 9.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.252 -0.905 . . . . 0.0 109.952 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HB2' HD12 ' A' ' 41' ' ' ILE . 11.3 mtt180 -150.38 120.95 7.45 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.392 -0.817 . . . . 0.0 110.908 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.847 ' CG ' HG11 ' A' ' 28' ' ' VAL . 8.5 mt-10 -116.77 134.65 54.54 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 6.3 tp10 11.03 96.11 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.776 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.17 -72.76 1.19 Allowed Glycine 0 N--CA 1.504 3.184 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.64 85.48 1.81 Allowed 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 122.532 2.155 . . . . 0.0 109.225 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.479 ' HB1' ' N2 ' ' B' ' 2' ' ' ' G' . . . -36.81 108.38 0.07 Allowed 'General case' 0 N--CA 1.503 2.18 0 CA-C-O 121.417 0.627 . . . . 0.0 111.59 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -176.84 -60.03 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.17 67.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.77 0.795 . . . . 0.0 108.946 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.13 -159.58 0.72 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.97 -1.081 . . . . 0.0 110.464 -178.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -123.74 152.25 42.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.883 -1.136 . . . . 0.0 109.241 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 32' ' ' GLU . 6.5 m-85 -103.96 125.41 50.32 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 109.35 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.598 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 55.3 mt -97.67 91.36 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 120.794 -1.191 . . . . 0.0 110.648 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.664 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 55.1 m -95.08 128.74 42.14 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.199 -0.938 . . . . 0.0 108.85 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.752 ' HB1' ' O ' ' A' ' 51' ' ' THR . . . -113.68 168.11 10.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.892 -1.13 . . . . 0.0 111.921 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.645 ' HB2' HG11 ' A' ' 50' ' ' VAL . 14.1 m -152.79 159.87 43.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.72 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -170.2 143.71 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.366 -0.833 . . . . 0.0 110.845 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.746 HG21 HD21 ' A' ' 73' ' ' LEU . 3.7 m -134.64 95.14 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.69 -86.8 0.16 Allowed Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 p -131.47 25.95 4.78 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.269 -1.136 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.648 ' HB ' HG23 ' A' ' 46' ' ' VAL . 53.2 mt -124.89 150.29 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 120.915 -1.116 . . . . 0.0 109.685 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.766 ' O ' HG23 ' A' ' 51' ' ' THR . 17.1 t 71.33 179.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.891 -0.506 . . . . 0.0 109.646 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 50' ' ' VAL . 2.6 p -169.65 -77.65 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.581 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -151.94 171.44 17.8 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.187 -0.946 . . . . 0.0 110.943 179.619 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.57 107.46 0.33 Allowed Glycine 0 N--CA 1.5 2.935 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 2.5 mp0 -74.26 69.62 1.59 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.273 -1.133 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' HA3' ' CA ' ' A' ' 61' ' ' SER . . . -53.77 127.15 37.09 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.514 ' O ' HG23 ' A' ' 60' ' ' VAL . 1.4 t-20 -58.64 150.75 22.39 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.446 -1.032 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.74 -15.58 81.21 Favored Glycine 0 N--CA 1.504 3.202 0 O-C-N 121.22 -0.925 . . . . 0.0 110.943 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -65.28 -36.19 83.32 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.085 -1.244 . . . . 0.0 110.707 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 pttp 177.0 54.73 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.283 -0.885 . . . . 0.0 110.108 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.999 HG12 ' HB2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -156.39 -179.59 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.244 0 O-C-N 121.102 -0.999 . . . . 0.0 109.363 -179.663 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 1.1 t 90.0 125.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 122.142 0.973 . . . . 0.0 109.344 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.627 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.0 OUTLIER 80.37 -58.46 0.32 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -177.888 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -69.26 -53.04 21.8 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.999 ' HB2' HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -64.29 -42.44 96.4 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.948 -0.47 . . . . 0.0 110.355 179.267 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.437 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -56.03 -44.59 78.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.127 -0.983 . . . . 0.0 108.489 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.708 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -70.73 -43.77 68.23 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 64' ' ' ARG . 20.3 mt-10 -48.56 -51.81 25.86 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.545 -0.722 . . . . 0.0 109.295 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -63.56 -51.39 65.61 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.319 -0.863 . . . . 0.0 109.031 179.002 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.656 ' CE ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -48.74 -41.94 33.77 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.265 -0.897 . . . . 0.0 110.185 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.837 HD21 HG22 ' A' ' 13' ' ' VAL . 31.0 mt -67.98 -54.93 14.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.203 -0.936 . . . . 0.0 110.305 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 68' ' ' LYS . 35.1 m -57.6 -34.06 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.842 -1.161 . . . . 0.0 109.537 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 68' ' ' LYS . 1.6 mt-10 -71.98 -51.79 20.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.044 -1.035 . . . . 0.0 108.795 178.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.746 HD21 HG21 ' A' ' 46' ' ' VAL . 41.9 mt -64.01 -22.91 67.13 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 109.918 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -86.68 -17.11 34.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.87 -1.144 . . . . 0.0 109.695 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -103.17 -16.41 15.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.407 -0.808 . . . . 0.0 109.758 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.916 -179.48 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 0 C5'-C4'-C3' 111.114 -2.924 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.479 ' N2 ' ' HB1' ' A' ' 35' ' ' ALA . . . . . . . . 0 O4'--C1' 1.438 2.016 0 C5'-C4'-C3' 111.189 -2.874 . 0.014 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.568 " O2'" ' HB3' ' A' ' 32' ' ' GLU . . . . . . . . 0 O4'--C1' 1.438 2.039 0 C5'-C4'-C3' 111.172 -2.886 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.419 " O4'" " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.065 0 C5'-C4'-C3' 110.988 -3.008 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.972 0 C5'-C4'-C3' 111.05 -2.967 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.9 0 O4'-C1'-N19 110.972 2.772 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.031 0 C5'-C4'-C3' 111.286 -2.81 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.159 0 C5'-C4'-C3' 111.176 -2.883 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 O4'-C1'-N19 110.965 2.765 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.936 0 C5'-C4'-C3' 111.158 -2.895 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.487 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.137 0 O4'-C1'-N19 111.114 2.914 . 0.072 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.436 " H2'" ' C6 ' ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.108 0 O4'-C1'-N19 111.029 2.829 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.57 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.919 0 C5'-C4'-C3' 111.001 -3.0 . 0.157 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.616 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C5'-C4'-C3' 110.696 -3.203 . 0.261 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.844 0 O4'-C1'-N19 110.945 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.616 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.128 0 C5'-C4'-C3' 111.444 -2.704 . 0.32 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.964 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.033 0 O4'-C1'-N19 111.233 3.033 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.964 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.138 0 C5'-C4'-C3' 111.275 -2.817 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.614 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.081 0 C5'-C4'-C3' 111.07 -2.953 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.427 0 O4'-C1'-N19 111.015 2.815 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.074 0 C5'-C4'-C3' 111.099 -2.934 . 0.014 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.502 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.231 -2.846 . 0.105 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.029 0 C5'-C4'-C3' 111.11 -2.927 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.998 0 O4'-C1'-N19 110.968 2.768 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.141 2.941 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.103 0 O4'-C1'-N19 111.015 2.815 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.934 0 C5'-C4'-C3' 111.176 -2.882 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.965 0 O4'-C1'-N19 111.17 2.97 . 0.167 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.521 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.144 0 O4'-C1'-N19 111.062 2.862 . 0.275 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.521 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C5'-C4'-C3' 111.142 -2.905 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.28 20.54 3.7 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.764 0.792 . . . . 0.0 108.987 -178.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.2 66.0 1.64 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.163 -0.96 . . . . 0.0 110.381 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.46 128.2 0.93 Allowed Glycine 0 N--CA 1.5 2.936 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 2.0 p-10 -108.79 -154.64 0.54 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.331 -1.1 . . . . 0.0 110.136 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 1.6 tttt 173.72 -39.41 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.364 -0.835 . . . . 0.0 109.418 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.523 ' C ' ' HD3' ' A' ' 9' ' ' PRO . 3.1 mptt -98.93 95.13 6.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.239 -0.913 . . . . 0.0 109.149 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 p -112.99 73.17 1.55 Allowed Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 121.24 -0.913 . . . . 0.0 110.497 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.698 ' O ' HG23 ' A' ' 13' ' ' VAL . 34.0 Cg_endo -74.04 -65.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 122.219 1.946 . . . . 0.0 110.32 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.77 -42.2 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.014 -1.053 . . . . 0.0 109.174 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -62.02 1.93 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.308 -0.87 . . . . 0.0 109.689 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.434 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 22.8 mt-30 -53.56 -41.98 67.07 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.406 -0.809 . . . . 0.0 110.116 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.86 HG22 HD21 ' A' ' 70' ' ' LEU . 74.0 t -58.33 -41.11 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 120.872 -1.143 . . . . 0.0 108.201 178.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.53 ' HB3' ' N3 ' ' B' ' 16' ' ' ' C' . 14.0 m80 -69.39 -41.66 76.18 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.52 ' HG2' " C2'" ' B' ' 15' ' ' ' U' . 3.4 mt-10 -56.86 -43.32 81.08 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.711 -0.618 . . . . 0.0 109.948 179.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.4 pp -83.43 -28.86 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.925 -1.109 . . . . 0.0 110.161 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.531 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -72.97 -55.53 6.33 Favored Glycine 0 N--CA 1.499 2.885 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 18' ' ' ILE . 47.6 mm -76.32 63.8 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 CA-C-O 122.252 1.025 . . . . 0.0 108.331 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' NZ ' " H1'" ' B' ' 15' ' ' ' U' . 0.1 OUTLIER -171.4 -49.57 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -0.904 . . . . 0.0 109.113 -179.075 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.09 34.22 2.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.302 -0.874 . . . . 0.0 109.672 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t30 50.72 49.13 21.56 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.273 -0.892 . . . . 0.0 110.182 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.568 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 11.7 mtp -116.69 115.9 26.52 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.03 -1.044 . . . . 0.0 110.05 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.499 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -75.12 95.35 3.07 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.246 -0.909 . . . . 0.0 109.836 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.714 HG11 HG12 ' A' ' 13' ' ' VAL . 94.5 t -82.93 107.65 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.313 -0.867 . . . . 0.0 109.749 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.585 ' HB2' HG22 ' A' ' 45' ' ' ILE . 8.2 m-70 -130.24 108.99 10.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.99 -1.069 . . . . 0.0 109.791 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.433 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 75.2 m-85 -79.75 161.96 25.42 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.144 -0.973 . . . . 0.0 110.129 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -159.5 149.41 18.69 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.198 -0.939 . . . . 0.0 110.176 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -114.8 128.35 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.018 -1.051 . . . . 0.0 108.593 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 43' ' ' ALA . 6.8 mt -78.82 -58.9 3.01 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.137 -0.977 . . . . 0.0 109.571 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.51 163.08 3.56 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.408 -0.808 . . . . 0.0 110.421 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -109.99 144.98 37.75 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.59 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -138.8 155.88 47.8 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.067 -1.02 . . . . 0.0 110.165 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.97 176.33 14.48 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -76.81 170.52 19.69 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.561 2.174 . . . . 0.0 110.964 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.33 59.63 0.58 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.923 -1.111 . . . . 0.0 110.018 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -150.07 -59.4 0.19 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.3 -0.875 . . . . 0.0 109.019 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 58.0 tpp -144.75 88.39 1.91 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -85.49 147.38 26.49 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.414 -0.804 . . . . 0.0 110.908 -178.692 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -78.98 135.87 37.05 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.356 -0.84 . . . . 0.0 109.194 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -117.29 106.28 13.1 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.046 -1.034 . . . . 0.0 110.805 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 41' ' ' ILE . 1.2 tp -88.43 122.05 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.155 -0.966 . . . . 0.0 109.771 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 60.9 m -113.66 123.73 50.62 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.162 -0.961 . . . . 0.0 110.316 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -96.33 118.41 32.82 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.154 -0.966 . . . . 0.0 109.672 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.688 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 39.6 m -103.01 137.4 41.25 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.994 -1.066 . . . . 0.0 110.458 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.703 HG13 HG22 ' A' ' 50' ' ' VAL . 10.8 tt -123.36 138.44 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.299 -0.875 . . . . 0.0 108.942 178.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.568 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 87.9 t -136.8 101.66 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.377 -0.827 . . . . 0.0 109.59 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.499 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 67.44 -99.67 0.54 Allowed Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.7 p -119.54 26.68 9.23 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.378 -1.072 . . . . 0.0 110.454 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.7 mp -133.67 147.62 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.937 -1.102 . . . . 0.0 109.992 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.703 HG22 HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -134.31 143.95 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.202 -0.936 . . . . 0.0 109.35 179.284 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.676 ' HB ' ' HG2' ' A' ' 69' ' ' MET . 73.5 m -145.42 130.71 18.57 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.556 -0.715 . . . . 0.0 109.661 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 2.1 mp0 -88.54 144.65 26.2 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.284 -0.885 . . . . 0.0 110.695 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.662 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -127.56 104.96 0.71 Allowed Glycine 0 N--CA 1.497 2.714 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -78.16 86.37 4.3 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.393 -1.063 . . . . 0.0 110.877 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.723 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -71.24 117.81 6.98 Favored Glycine 0 N--CA 1.506 3.322 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -96.02 60.79 2.08 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.118 -1.225 . . . . 0.0 110.865 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.719 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 62.21 -148.74 48.35 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt 43.83 41.61 3.9 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.459 -1.024 . . . . 0.0 111.041 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 mttt 64.16 25.98 13.78 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.107 -0.996 . . . . 0.0 110.809 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 57' ' ' GLY . 2.2 t -110.41 147.57 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.069 -1.019 . . . . 0.0 108.995 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.723 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 57.9 p 153.16 -88.6 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.624 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -57.99 -37.63 74.6 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -65.71 -71.55 0.19 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.483 ' HB2' HG12 ' A' ' 60' ' ' VAL . 3.9 ttt180 -41.92 -38.51 1.59 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.41 -0.806 . . . . 0.0 110.801 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.688 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -72.0 -46.19 58.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.373 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.46 -48.49 69.76 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.29 -0.881 . . . . 0.0 109.384 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.08 -48.03 61.71 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.633 -0.667 . . . . 0.0 109.46 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.536 ' HB3' HG21 ' A' ' 51' ' ' THR . 1.1 mmmt -57.18 -52.62 64.58 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.404 -0.81 . . . . 0.0 108.92 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.676 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -56.11 -50.32 71.39 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.472 -0.767 . . . . 0.0 109.897 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.86 HD21 HG22 ' A' ' 13' ' ' VAL . 65.7 mt -57.35 -52.55 64.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.387 -0.821 . . . . 0.0 109.243 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.4 t -55.74 -42.86 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.55 -0.719 . . . . 0.0 109.514 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.479 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -59.13 -62.43 1.89 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.388 -0.82 . . . . 0.0 111.066 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.13 -33.77 70.41 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.815 -1.178 . . . . 0.0 111.527 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 30.0 mt-30 -71.91 -16.53 62.12 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.587 -1.321 . . . . 0.0 109.623 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -93.05 -57.62 2.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.274 -0.891 . . . . 0.0 109.235 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 76' ' ' LEU . 5.0 mt . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 119.345 -0.36 . . . . 0.0 111.195 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C5'-C4'-C3' 111.364 -2.757 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.041 0 O4'-C1'-N19 111.231 3.031 . 0.119 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.325 0 C5'-C4'-C3' 110.873 -3.085 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.079 0 O4'-C1'-N19 111.207 3.007 . 0.06 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.415 ' N1 ' ' N3 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C5'-C4'-C3' 111.204 -2.864 . 0.394 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.116 0 C5'-C4'-C3' 111.292 -2.805 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.433 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.952 0 C5'-C4'-C3' 111.099 -2.934 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.452 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.978 0 C5'-C4'-C3' 111.3 -2.8 . 0.25 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.013 0 C5'-C4'-C3' 111.218 -2.855 . 0.049 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.446 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.071 0 O4'-C1'-N19 111.081 2.881 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.416 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.091 0 O4'-C1'-N19 111.131 2.931 . 0.115 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.491 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.135 0 O4'-C1'-N19 111.032 2.832 . 0.054 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.462 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.982 0 C5'-C4'-C3' 111.125 -2.917 . 0.198 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.837 " O2'" ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 C3'-C2'-C1' 104.389 3.21 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.52 " C2'" ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.613 2.032 0 O4'-C1'-N19 111.408 3.208 . 0.071 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.837 ' H5 ' " O2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.914 0 C5'-C4'-C3' 111.326 -2.782 . 0.054 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.466 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 O4'-C1'-N19 111.077 2.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.672 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.962 0 C5'-C4'-C3' 111.12 -2.92 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.672 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.127 0 C5'-C4'-C3' 111.215 -2.856 . 0.105 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.199 0 C5'-C4'-C3' 110.933 -3.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.009 0 C5'-C4'-C3' 111.223 -2.852 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.034 0 O4'-C1'-N19 111.077 2.877 . 0.185 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.012 0 C5'-C4'-C3' 111.268 -2.821 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.082 0 O4'-C1'-N19 111.079 2.879 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.53 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.95 0 O4'-C1'-N19 111.04 2.84 . 0.414 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.53 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 C5'-C4'-C3' 111.324 -2.784 . 0.407 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.941 0 O4'-C1'-N19 110.954 2.754 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.945 0 C5'-C4'-C3' 111.345 -2.77 . 0.305 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 C5'-C4'-C3' 111.255 -2.83 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C3'-C2'-C1' 104.211 3.012 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 2' ' ' ASP . 24.0 ttm . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 1' ' ' MET . 4.0 m-20 34.73 -119.96 0.1 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 122.313 -0.242 . . . . 0.0 110.749 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.58 76.16 0.18 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.095 -1.003 . . . . 0.0 109.795 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.95 41.28 2.21 Favored Glycine 0 N--CA 1.502 3.057 0 O-C-N 120.641 -1.287 . . . . 0.0 111.063 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.507 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 29.3 t70 -60.96 143.76 54.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.288 -1.125 . . . . 0.0 110.268 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.507 ' NZ ' ' O ' ' A' ' 5' ' ' ASP . 0.7 OUTLIER -158.29 36.89 0.24 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.416 -0.802 . . . . 0.0 109.588 -179.676 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 147.08 23.87 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.185 -0.947 . . . . 0.0 110.198 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.593 ' OG ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 175.67 -55.78 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.227 -0.921 . . . . 0.0 110.709 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.632 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 32.3 Cg_endo -71.72 0.64 6.71 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.334 2.023 . . . . 0.0 112.36 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -115.55 -67.68 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.634 -1.291 . . . . 0.0 109.407 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 p -63.87 -73.73 0.11 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.96 -1.087 . . . . 0.0 110.127 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.76 -43.98 6.41 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.547 -0.721 . . . . 0.0 110.977 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.815 HG22 ' HG ' ' A' ' 70' ' ' LEU . 90.1 t -59.68 -52.34 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.935 -1.103 . . . . 0.0 108.955 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.563 ' HB3' ' N7 ' ' B' ' 17' ' ' ' G' . 25.3 m80 -59.8 -39.47 85.08 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.93 -51.91 67.7 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.6 mt -58.95 -40.2 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.827 . . . . 0.0 108.857 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.899 ' HA3' HG12 ' A' ' 24' ' ' VAL . . . -55.26 -45.36 83.13 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 108.589 -1.805 . . . . 0.0 108.589 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 18' ' ' ILE . 41.9 mm -94.47 49.31 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-O 122.112 0.958 . . . . 0.0 108.502 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -153.94 -58.33 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.84 -1.162 . . . . 0.0 109.511 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.64 32.51 1.22 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.204 -0.935 . . . . 0.0 109.462 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 50.26 38.05 16.55 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.471 -0.768 . . . . 0.0 110.046 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.2 mtt -93.54 -26.68 17.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.281 -0.887 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.817 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER 50.17 56.7 7.52 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.144 -0.973 . . . . 0.0 109.585 -179.779 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.899 HG12 ' HA3' ' A' ' 17' ' ' GLY . 13.7 p -70.13 116.1 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.364 -0.835 . . . . 0.0 110.694 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.817 ' NE2' HG22 ' A' ' 23' ' ' THR . 94.4 m-70 -122.45 119.18 30.22 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.236 -0.915 . . . . 0.0 109.504 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 66' ' ' ALA . 71.7 m-85 -98.55 125.37 43.77 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.287 -0.883 . . . . 0.0 110.201 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -148.21 155.86 41.87 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -0.931 . . . . 0.0 110.256 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.6 p -98.18 157.18 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.178 -0.951 . . . . 0.0 109.479 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.617 HD21 ' CB ' ' A' ' 43' ' ' ALA . 7.1 mt -102.9 -62.38 1.28 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.152 -0.968 . . . . 0.0 109.377 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 167.5 155.79 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 173.76 6.17 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.293 -0.879 . . . . 0.0 110.106 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.663 ' HB2' ' HD2' ' A' ' 38' ' ' LYS . 7.4 mt-10 -77.91 53.14 1.12 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.068 -1.02 . . . . 0.0 109.294 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.36 105.97 0.19 Allowed Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -71.86 54.6 2.11 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.238 1.959 . . . . 0.0 111.271 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HA ' ' N3 ' ' B' ' 3' ' ' ' A' . . . -153.13 16.61 0.55 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.134 -0.979 . . . . 0.0 110.764 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.429 ' HE1' " H1'" ' B' ' 30' ' ' ' C' . 0.1 OUTLIER -156.06 58.5 0.59 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.513 -1.367 . . . . 0.0 111.454 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 ttt 38.73 82.59 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 CA-C-O 121.626 0.727 . . . . 0.0 111.387 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.663 ' HD2' ' HB2' ' A' ' 32' ' ' GLU . 13.2 mmtm -124.04 158.52 31.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.892 -1.13 . . . . 0.0 111.185 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -83.16 170.28 14.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.58 -0.7 . . . . 0.0 109.546 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -121.36 147.62 45.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 110.012 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.483 ' CG2' ' HA2' ' A' ' 53' ' ' GLY . 22.6 mm -126.44 123.23 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.449 -0.782 . . . . 0.0 109.24 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -95.06 159.03 15.21 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.22 -0.925 . . . . 0.0 110.007 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.666 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . . . -133.8 136.01 44.22 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.999 -1.063 . . . . 0.0 109.767 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 34.2 t -131.19 145.05 51.79 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.995 -1.066 . . . . 0.0 110.378 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.653 ' HB ' ' HB2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -98.39 126.88 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.321 -0.862 . . . . 0.0 109.107 179.433 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.725 HG21 HD22 ' A' ' 73' ' ' LEU . 14.1 p -123.59 112.77 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.486 -0.759 . . . . 0.0 109.493 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -7.21 75.39 0.0 OUTLIER Glycine 1 N--CA 1.517 4.082 0 C-N-CA 123.432 0.539 . . . . 0.0 112.973 -179.352 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 m 157.08 -63.51 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 O-C-N 122.034 -0.686 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.443 HG13 ' C ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -153.3 -169.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.366 -0.834 . . . . 0.0 109.375 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.553 HG22 ' CD1' ' A' ' 45' ' ' ILE . 10.7 t -99.96 150.97 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.028 -1.045 . . . . 0.0 109.415 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.614 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -166.95 140.51 3.73 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.342 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.698 ' CG ' ' HB1' ' A' ' 65' ' ' ALA . 5.9 tp10 171.23 -128.03 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.902 -0.499 . . . . 0.0 110.088 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 41' ' ' ILE . . . 116.95 -139.85 15.45 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' HG3' ' HD3' ' A' ' 68' ' ' LYS . 6.2 mm-40 56.66 173.56 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.878 0.847 . . . . 0.0 111.188 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.29 82.53 0.45 Allowed Glycine 0 N--CA 1.5 2.92 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -1.92 11.11 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.263 -1.14 . . . . 0.0 111.84 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.17 -47.53 3.78 Favored Glycine 0 N--CA 1.503 3.122 0 O-C-N 120.624 -1.298 . . . . 0.0 110.514 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -68.23 71.55 0.18 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.149 -1.207 . . . . 0.0 110.24 -179.708 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.8 tttt 61.21 21.98 12.37 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.504 -0.747 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 61' ' ' SER . 3.1 t -115.27 144.21 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 120.683 -1.261 . . . . 0.0 109.868 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 6.0 t 155.86 -87.94 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.3 tttt -46.76 -40.22 13.14 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.523 -0.735 . . . . 0.0 110.08 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HE3' ' OE1' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -72.44 -78.23 0.09 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.387 -0.82 . . . . 0.0 109.451 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -39.25 -41.57 0.89 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.505 -0.747 . . . . 0.0 111.051 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.698 ' HB1' ' CG ' ' A' ' 52' ' ' GLU . . . -59.75 -66.34 0.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.387 -0.821 . . . . 0.0 108.988 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.417 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -51.24 -45.26 61.93 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.166 -0.959 . . . . 0.0 110.023 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -52.33 -53.12 48.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.434 -0.791 . . . . 0.0 109.376 179.289 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' HG12 ' A' ' 71' ' ' VAL . 2.5 tttt -67.08 -50.48 61.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.48 -0.763 . . . . 0.0 110.402 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.658 ' HE2' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -52.62 -54.69 29.68 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.285 -0.884 . . . . 0.0 110.536 -179.254 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.815 ' HG ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -72.11 -41.17 67.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.909 -1.119 . . . . 0.0 111.584 -178.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -52.94 -29.57 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 120.415 -1.428 . . . . 0.0 109.375 179.648 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.84 -50.84 5.52 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.18 -0.95 . . . . 0.0 109.401 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.725 HD22 HG21 ' A' ' 46' ' ' VAL . 37.7 mt -65.7 -17.22 64.45 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.277 -0.889 . . . . 0.0 111.704 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.428 ' HG3' HD13 ' A' ' 70' ' ' LEU . 34.1 mt-30 -76.91 10.02 2.54 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.626 -1.296 . . . . 0.0 110.37 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -118.35 -43.9 2.7 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.075 -1.016 . . . . 0.0 110.879 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.949 -178.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 C5'-C4'-C3' 111.433 -2.711 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.406 " O2'" " H5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.175 0 O4'-C1'-N19 111.075 2.875 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.572 ' N3 ' ' HA ' ' A' ' 35' ' ' ALA . . . . . . . . 0 O4'--C1' 1.437 1.917 0 O4'-C1'-N19 111.266 3.066 . 0.272 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.504 ' C6 ' " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.105 0 O4'-C1'-N19 111.122 2.922 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.104 0 O4'-C1'-N19 111.081 2.881 . 0.161 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . 0.487 " H2'" ' C6 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.117 0 O4'-C1'-N19 111.018 2.818 . 0.505 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.487 ' C6 ' " H2'" ' B' ' 6' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.241 0 O4'-C1'-N19 111.198 2.998 . 0.275 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.437 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.012 0 C5'-C4'-C3' 111.189 -2.874 . 0.295 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.017 0 C5'-C4'-C3' 111.307 -2.796 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.421 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.857 0 C5'-C4'-C3' 111.218 -2.854 . 0.261 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.809 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.119 0 O4'-C1'-N19 111.043 2.843 . 0.033 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.809 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.846 0 O4'-C1'-N19 111.001 2.801 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.402 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.972 0 O4'-C1'-N19 111.817 3.617 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.55 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 C3'-C2'-C1' 105.012 3.903 . 0.098 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.422 " O5'" ' H6 ' ' B' ' 15' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C5'-C4'-C3' 111.276 -2.816 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.55 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.234 0 O4'-C1'-N19 111.185 2.985 . 0.099 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.829 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.008 0 C5'-C4'-C3' 110.963 -3.025 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.829 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.939 0 C5'-C4'-C3' 111.211 -2.859 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.404 ' H21' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.098 0 O4'-C1'-N19 111.277 3.077 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.404 " H1'" ' H21' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.05 0 C5'-C4'-C3' 110.903 -3.064 . 0.078 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.814 0 C5'-C4'-C3' 111.189 -2.874 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.005 0 C5'-C4'-C3' 111.309 -2.794 . 0.127 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.034 0 C5'-C4'-C3' 111.423 -2.718 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . 0.475 " H2'" ' C6 ' ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.96 0 C5'-C4'-C3' 111.25 -2.833 . 0.45 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.475 ' C6 ' " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C5'-C4'-C3' 111.298 -2.801 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.438 ' C5 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.098 0 C5'-C4'-C3' 111.395 -2.737 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.039 0 C5'-C4'-C3' 111.279 -2.814 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.061 0 C5'-C4'-C3' 110.995 -3.004 . 0.275 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.873 0 C5'-C4'-C3' 110.958 -3.028 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.429 " H1'" ' HE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C5'-C4'-C3' 111.037 -2.975 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.473 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 3.6 mtp . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 120.794 0.331 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.23 50.96 1.93 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.92 0.867 . . . . 0.0 108.917 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 1' ' ' MET . 1.1 mp0 -66.15 83.04 0.08 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.325 -0.859 . . . . 0.0 110.767 -178.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.62 58.76 2.95 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.543 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -76.55 76.18 3.25 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.268 -1.136 . . . . 0.0 109.042 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.543 ' NZ ' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 171.42 141.2 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.121 -1.612 . . . . 0.0 109.94 -179.108 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER 69.2 -162.95 0.18 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.617 -0.677 . . . . 0.0 109.254 -179.386 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.08 88.3 0.1 Allowed Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 121.111 -0.993 . . . . 0.0 110.346 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.615 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 36.0 Cg_endo -77.4 58.15 6.19 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.421 2.081 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mm -136.6 -69.23 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.948 -1.095 . . . . 0.0 109.745 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.01 -61.37 2.36 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.223 -0.923 . . . . 0.0 109.875 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -52.49 -33.89 46.8 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.78 -0.575 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.944 ' HA ' HD21 ' A' ' 70' ' ' LEU . 44.8 t -63.1 -47.25 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.843 -1.16 . . . . 0.0 108.388 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -67.0 -38.52 86.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.88 -46.04 91.14 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.355 -0.841 . . . . 0.0 109.211 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.558 HD13 HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -60.43 -48.43 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.31 -0.869 . . . . 0.0 108.82 179.189 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.99 72.52 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.407 ' CG2' ' C4 ' ' B' ' 17' ' ' ' G' . 60.5 mt -58.71 -41.73 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.326 -1.102 . . . . 0.0 109.101 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.588 ' HE3' ' N7 ' ' B' ' 17' ' ' ' G' . 0.0 OUTLIER -45.89 -45.85 15.54 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.672 -0.643 . . . . 0.0 110.586 179.575 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -106.73 18.59 21.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.11 -0.994 . . . . 0.0 110.276 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.24 51.84 5.3 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.887 0.851 . . . . 0.0 109.389 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.553 ' HG2' ' HA3' ' A' ' 47' ' ' GLY . 27.7 mtt -124.64 119.36 28.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.37 -0.832 . . . . 0.0 110.066 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -67.66 135.4 52.76 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.201 -0.937 . . . . 0.0 109.8 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.792 HG11 HG12 ' A' ' 13' ' ' VAL . 58.8 t -108.37 111.38 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.507 -0.746 . . . . 0.0 109.684 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.54 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 11.3 m-70 -132.25 112.86 12.6 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.918 -1.114 . . . . 0.0 110.448 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 44' ' ' CYS . 89.3 m-85 -85.47 173.13 10.47 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.137 -0.977 . . . . 0.0 110.663 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 178.53 145.12 0.13 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.652 -0.655 . . . . 0.0 109.458 179.752 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.699 ' HB ' ' CG ' ' A' ' 32' ' ' GLU . 59.2 t -89.41 -2.77 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 O-C-N 120.746 -1.221 . . . . 0.0 110.812 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 43' ' ' ALA . 5.5 mt 73.7 -37.9 0.39 Allowed 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.344 -0.848 . . . . 0.0 110.433 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 3.5 ttp180 -159.27 174.53 14.65 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.544 -0.722 . . . . 0.0 110.269 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 3.1 mm-40 66.49 -103.88 0.09 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.913 -0.492 . . . . 0.0 109.942 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.699 ' CG ' ' HB ' ' A' ' 28' ' ' VAL . 41.1 mt-10 59.81 -175.03 0.1 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.187 -0.945 . . . . 0.0 110.049 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.596 ' HA3' ' HB3' ' A' ' 37' ' ' MET . . . 178.53 153.81 11.89 Favored Glycine 0 N--CA 1.499 2.84 0 O-C-N 120.632 -1.292 . . . . 0.0 110.305 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -76.17 -73.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.609 2.206 . . . . 0.0 110.727 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' O ' " H1'" ' B' ' 3' ' ' ' A' . . . -77.7 -57.65 3.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.031 -1.043 . . . . 0.0 109.332 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -114.19 -163.58 0.88 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.304 -0.873 . . . . 0.0 109.612 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.596 ' HB3' ' HA3' ' A' ' 33' ' ' GLY . 1.1 tpt 66.08 49.26 1.59 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.35 -0.844 . . . . 0.0 111.439 179.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.502 ' NZ ' " O2'" ' B' ' 3' ' ' ' A' . 4.2 mtmt -113.85 73.04 0.8 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.511 -1.368 . . . . 0.0 109.851 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.528 ' HA ' ' HB2' ' A' ' 61' ' ' SER . 1.4 m-80 -159.92 -161.08 0.86 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.421 -0.8 . . . . 0.0 108.913 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.578 ' HA ' ' HB2' ' A' ' 56' ' ' ASN . 8.2 m-30 84.05 -172.33 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.565 0 CA-C-O 121.817 0.817 . . . . 0.0 112.154 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.661 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -46.75 123.51 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 121.709 -0.619 . . . . 0.0 111.171 -178.094 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.56 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 0.2 OUTLIER -115.31 130.71 56.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.043 -1.036 . . . . 0.0 109.082 178.466 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.784 ' HB3' HD21 ' A' ' 29' ' ' LEU . . . -121.71 139.34 53.7 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.022 -1.049 . . . . 0.0 109.747 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 52.5 t -121.37 149.14 43.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.957 . . . . 0.0 109.3 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.883 HG13 HG22 ' A' ' 50' ' ' VAL . 11.7 tt -122.56 125.58 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 24' ' ' VAL . 96.1 t -134.17 95.16 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.483 -0.76 . . . . 0.0 109.722 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.553 ' HA3' ' HG2' ' A' ' 22' ' ' MET . . . 67.77 -84.19 0.16 Allowed Glycine 0 N--CA 1.501 2.996 0 O-C-N 121.187 -0.946 . . . . 0.0 110.875 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -123.03 -18.69 6.31 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.303 -1.116 . . . . 0.0 111.265 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.0 pt -92.75 131.72 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.787 -1.195 . . . . 0.0 109.693 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.94 HG12 ' H ' ' A' ' 51' ' ' THR . 3.3 t -131.89 -179.06 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.926 -1.109 . . . . 0.0 110.761 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.94 ' H ' HG12 ' A' ' 50' ' ' VAL . 9.4 m 82.26 161.95 0.14 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -177.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.838 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -145.38 -76.89 0.21 Allowed 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 117.638 -1.625 . . . . 0.0 110.961 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.52 161.81 22.75 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.661 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 11.1 mp0 -69.73 107.75 3.61 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.262 -1.14 . . . . 0.0 111.013 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.551 ' HA2' ' HD2' ' A' ' 64' ' ' ARG . . . -97.14 76.08 0.67 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.578 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . 51.7 t30 -135.19 119.23 17.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.045 -1.268 . . . . 0.0 110.667 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 58' ' ' LYS . . . 160.76 75.14 0.02 OUTLIER Glycine 0 N--CA 1.496 2.692 0 C-N-CA 119.681 -1.247 . . . . 0.0 110.925 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 8.1 mttt 69.32 -67.46 0.22 Allowed 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.496 -1.002 . . . . 0.0 110.789 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.58 71.99 1.47 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.091 -1.005 . . . . 0.0 109.955 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.618 HG13 ' HB2' ' A' ' 64' ' ' ARG . 1.8 t -134.58 159.77 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.411 -0.806 . . . . 0.0 109.136 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 0.8 OUTLIER 91.47 120.97 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.847 0.832 . . . . 0.0 109.021 -179.628 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' H ' HG21 ' A' ' 42' ' ' THR . 68.5 tttt 79.64 11.41 1.28 Allowed 'General case' 0 N--CA 1.509 2.51 0 CA-C-O 122.104 0.954 . . . . 0.0 108.635 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.84 -68.07 0.19 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.618 ' HB2' HG13 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -48.97 -45.73 42.53 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.404 0.621 . . . . 0.0 110.004 177.166 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.838 ' HB1' ' HG3' ' A' ' 52' ' ' GLU . . . -58.17 -50.1 74.71 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.757 0.789 . . . . 0.0 109.864 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . . . -59.17 -46.17 89.11 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -0.981 . . . . 0.0 110.649 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' OE1' ' HG3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -55.17 -47.13 75.61 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.142 -0.974 . . . . 0.0 109.645 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 72' ' ' GLU . 2.7 ttpm? -62.45 -49.12 76.67 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.51 -0.744 . . . . 0.0 109.545 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -40.97 91.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.098 -1.001 . . . . 0.0 109.51 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' A' ' 13' ' ' VAL . 9.1 mt -65.45 -55.43 18.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.206 -0.934 . . . . 0.0 109.877 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 68' ' ' LYS . 9.9 p -58.05 -34.61 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.316 -0.865 . . . . 0.0 109.642 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -69.02 -55.4 10.94 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.079 -1.013 . . . . 0.0 109.535 178.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 73' ' ' LEU . 77.8 mt -61.54 -30.68 70.8 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.147 -0.97 . . . . 0.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -85.91 -11.45 53.17 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.931 -1.106 . . . . 0.0 110.565 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.505 ' O ' ' HE2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -112.72 -21.97 10.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.066 -1.022 . . . . 0.0 110.522 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 117.473 -1.251 . . . . 0.0 110.987 179.716 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.034 0 C5'-C4'-C3' 111.143 -2.904 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.943 0 C5'-C4'-C3' 111.161 -2.893 . 0.287 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.502 " O2'" ' NZ ' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C3'-C2'-C1' 104.538 3.376 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 O4'-C1'-N19 111.382 3.182 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.163 0 O4'-C1'-N19 110.982 2.782 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.121 0 C5'-C4'-C3' 111.209 -2.861 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.916 0 O4'-C1'-N19 111.053 2.853 . 0.361 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.438 " H2'" ' C8 ' ' B' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.017 0 O4'-C1'-N19 110.995 2.795 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . 0.438 ' C8 ' " H2'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.085 0 O4'-C1'-N19 111.037 2.837 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.422 ' C6 ' " H2'" ' B' ' 9' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.134 0 C5'-C4'-C3' 111.273 -2.818 . 0.541 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.08 0 C5'-C4'-C3' 111.08 -2.947 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.421 " H2'" ' C6 ' ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.172 0 O4'-C1'-N19 111.196 2.996 . 0.12 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.421 ' C6 ' " H2'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.857 0 C5'-C4'-C3' 110.973 -3.018 . 0.092 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.696 HO2' ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C3'-C2'-C1' 104.397 3.218 . 0.228 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.425 " O2'" ' NZ ' ' A' ' 19' ' ' LYS . . . . . . . . 0 P--O5' 1.613 1.961 0 O4'-C1'-N19 111.771 3.571 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.696 ' H5 ' HO2' ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.81 0 C5'-C4'-C3' 111.109 -2.927 . 0.01 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.649 ' N3 ' " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.169 0 C5'-C4'-C3' 110.948 -3.035 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.731 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.763 0 C5'-C4'-C3' 110.728 -3.181 . 0.029 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.731 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.216 0 C5'-C4'-C3' 111.103 -2.931 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.934 0 C5'-C4'-C3' 111.143 -2.905 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.542 " H2'" " O4'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.171 -2.886 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.542 " O4'" " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.094 0 C5'-C4'-C3' 111.17 -2.887 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.854 0 C5'-C4'-C3' 111.234 -2.844 . 0.303 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.986 0 O4'-C1'-N19 110.971 2.771 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.416 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.983 0 O4'-C1'-N19 111.043 2.843 . 0.269 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.416 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.056 0 O4'-C1'-N19 110.998 2.798 . 0.41 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.06 0 O4'-C1'-N19 111.038 2.838 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.925 0 C5'-C4'-C3' 111.198 -2.868 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.559 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.976 0 O4'-C1'-N19 111.153 2.953 . 0.288 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.559 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C5'-C4'-C3' 111.167 -2.889 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.06 -75.79 0.14 Allowed 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.45 129.09 36.73 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.966 -1.084 . . . . 0.0 108.869 178.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.79 -122.03 0.59 Allowed Glycine 0 N--CA 1.499 2.834 0 C-N-CA 119.435 -1.364 . . . . 0.0 111.578 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 t70 64.91 -162.63 0.27 Allowed 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 23.7 ttpt -154.86 38.81 0.42 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.689 -1.257 . . . . 0.0 109.606 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 31.7 pttt 176.91 -141.38 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -105.15 135.96 19.24 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 120.765 -1.209 . . . . 0.0 108.723 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HG2' ' HB3' ' A' ' 66' ' ' ALA . 34.8 Cg_endo -73.67 58.38 3.91 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.472 2.115 . . . . 0.0 111.51 -179.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.01 -53.09 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.108 -0.995 . . . . 0.0 109.468 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -48.3 -63.49 1.06 Allowed 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.32 -0.862 . . . . 0.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' O ' HG12 ' A' ' 16' ' ' ILE . 11.8 mt-30 -50.6 -40.36 52.47 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.266 -0.896 . . . . 0.0 110.478 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.556 HG22 HD21 ' A' ' 70' ' ' LEU . 98.2 t -59.53 -44.3 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.875 -1.14 . . . . 0.0 108.16 178.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.447 ' O ' HD12 ' A' ' 18' ' ' ILE . 29.0 m80 -66.21 -43.85 85.53 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.497 ' HG2' " H2'" ' B' ' 15' ' ' ' U' . 11.0 mt-10 -56.89 -44.34 82.22 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.53 -0.731 . . . . 0.0 109.107 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 12' ' ' GLN . 36.8 mm -70.23 -40.39 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.049 -1.032 . . . . 0.0 109.038 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.524 ' HA3' HG23 ' A' ' 24' ' ' VAL . . . -59.25 -50.49 67.22 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 18' ' ' ILE . 4.7 mt -80.43 52.53 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.424 -1.045 . . . . 0.0 108.623 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -155.81 -54.65 0.09 Allowed 'General case' 0 C--N 1.295 -1.761 0 O-C-N 120.995 -1.066 . . . . 0.0 108.696 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -93.51 29.63 1.94 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.497 -0.752 . . . . 0.0 109.196 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 t30 53.9 52.38 13.07 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.351 -0.843 . . . . 0.0 110.147 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.65 ' HB3' HG22 ' A' ' 46' ' ' VAL . 45.2 mtm -126.59 112.14 15.16 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.981 -1.074 . . . . 0.0 110.538 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -66.25 119.8 12.14 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.11 -0.994 . . . . 0.0 109.226 179.023 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.524 HG23 ' HA3' ' A' ' 17' ' ' GLY . 70.6 t -99.49 110.83 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.413 -0.804 . . . . 0.0 109.969 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.683 ' HB2' HG22 ' A' ' 45' ' ' ILE . 9.9 m-70 -131.71 127.03 35.99 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.987 -1.07 . . . . 0.0 109.965 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -93.86 144.18 25.67 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.24 -0.912 . . . . 0.0 109.671 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -150.89 128.6 11.57 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.163 -0.96 . . . . 0.0 110.481 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.2 t -87.24 138.59 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.943 -1.098 . . . . 0.0 108.81 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 43' ' ' ALA . 8.3 mt -74.69 -55.55 5.75 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.171 -0.956 . . . . 0.0 109.8 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -173.12 156.46 3.23 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.342 -0.849 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -112.24 157.56 20.77 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.66 ' HG3' ' HB2' ' A' ' 37' ' ' MET . 0.0 OUTLIER -67.92 166.61 15.32 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.091 -1.006 . . . . 0.0 110.348 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.76 -64.49 1.25 Allowed Glycine 0 N--CA 1.501 2.975 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -79.83 -174.39 2.25 Favored 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 122.379 2.053 . . . . 0.0 110.632 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.03 31.72 0.63 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.777 -1.202 . . . . 0.0 109.899 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.504 ' O ' ' C ' ' A' ' 37' ' ' MET . 3.1 m-70 -106.63 -169.04 1.5 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.144 -0.973 . . . . 0.0 109.358 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.66 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 71.7 mtm 21.84 70.49 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.605 0 CA-C-O 121.707 0.765 . . . . 0.0 111.658 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -73.47 82.53 1.46 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.014 -1.053 . . . . 0.0 109.887 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.26 128.0 42.35 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.351 -0.843 . . . . 0.0 109.698 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -109.53 92.64 4.13 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.071 -1.018 . . . . 0.0 110.365 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.494 HG23 ' HG2' ' A' ' 54' ' ' GLU . 1.4 mp -82.32 108.3 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.232 -0.917 . . . . 0.0 109.66 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -116.37 130.91 57.02 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.892 -1.13 . . . . 0.0 109.357 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -109.64 155.63 21.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.929 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 5.6 t -133.79 139.63 46.42 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -0.998 . . . . 0.0 109.843 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.683 HG22 ' HB2' ' A' ' 25' ' ' HIS . 16.9 tt -110.55 133.05 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.65 HG22 ' HB3' ' A' ' 22' ' ' MET . 9.8 p -131.91 109.7 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 CA-C-O 121.841 0.829 . . . . 0.0 109.45 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.27 -106.28 0.89 Allowed Glycine 0 N--CA 1.501 2.995 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.52 23.4 12.4 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.314 -1.11 . . . . 0.0 110.331 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.8 151.51 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.026 -1.046 . . . . 0.0 109.809 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG22 HG13 ' A' ' 45' ' ' ILE . 1.6 t -128.18 149.59 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.036 -1.04 . . . . 0.0 109.322 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.7 p -141.97 126.87 18.24 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.141 -0.974 . . . . 0.0 110.353 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 14.2 mt-10 -94.38 149.17 21.5 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.274 -0.891 . . . . 0.0 110.388 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.64 108.66 0.65 Allowed Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' HG2' HG23 ' A' ' 41' ' ' ILE . 5.5 mt-10 -81.17 79.57 7.8 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.406 -1.056 . . . . 0.0 110.173 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.62 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -78.81 166.34 51.92 Favored Glycine 0 N--CA 1.501 3.003 0 O-C-N 120.809 -1.182 . . . . 0.0 110.721 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -117.11 -58.24 2.08 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.266 -1.137 . . . . 0.0 109.702 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.0 151.79 52.58 Favored Glycine 0 N--CA 1.499 2.851 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -36.86 -56.22 0.87 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.943 -0.739 . . . . 0.0 111.893 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.5 pttt -103.44 32.54 3.76 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.748 -1.22 . . . . 0.0 110.672 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.79 -36.12 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 120.984 -1.072 . . . . 0.0 109.711 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.62 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 34.2 p -58.25 -55.19 38.18 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.275 -0.891 . . . . 0.0 109.613 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -54.49 -37.33 65.16 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.441 -0.787 . . . . 0.0 109.421 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -64.98 0.74 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.36 -0.838 . . . . 0.0 109.44 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -35.81 73.7 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.427 -0.796 . . . . 0.0 110.53 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.37 -49.05 75.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.983 -1.073 . . . . 0.0 108.79 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' HB3' ' HG2' ' A' ' 9' ' ' PRO . . . -68.0 -39.94 83.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.564 -0.71 . . . . 0.0 109.241 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -50.3 -56.01 13.04 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.522 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.17 -49.67 76.97 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.084 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.446 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 9.2 ttm -50.52 -49.44 55.75 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.214 -0.929 . . . . 0.0 110.218 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.556 HD21 HG22 ' A' ' 13' ' ' VAL . 43.9 mt -70.74 -43.04 69.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.886 -1.134 . . . . 0.0 110.345 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.53 -38.6 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.061 -1.025 . . . . 0.0 109.807 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' HG3' ' HG3' ' A' ' 68' ' ' LYS . 3.3 mm-40 -80.63 -40.55 25.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.079 -1.013 . . . . 0.0 109.203 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 46' ' ' VAL . 14.9 mt -62.19 -36.02 80.63 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.425 -0.797 . . . . 0.0 109.86 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -71.46 -0.3 10.06 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.196 -0.94 . . . . 0.0 110.17 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 72' ' ' GLU . 1.1 mtmp? -95.95 -16.74 21.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.145 -0.972 . . . . 0.0 109.628 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 N--CA 1.485 1.324 0 O-C-N 121.463 -0.773 . . . . 0.0 110.079 -178.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.744 " H4'" ' OP1' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.336 3.136 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.744 ' OP1' " H4'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 P-O3'-C3' 123.756 3.38 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.405 ' P ' HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.275 0 O4'-C1'-N19 111.091 2.891 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.223 0 O4'-C1'-N19 111.058 2.858 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.931 0 C5'-C4'-C3' 111.227 -2.849 . 0.317 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.931 0 C5'-C4'-C3' 111.165 -2.89 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.905 0 C5'-C4'-C3' 111.077 -2.949 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.942 0 C5'-C4'-C3' 111.302 -2.799 . 0.105 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.108 0 O4'-C1'-N19 111.074 2.874 . 0.022 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.501 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.044 0 O4'-C1'-N19 110.944 2.744 . 0.284 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.43 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.041 0 O4'-C1'-N19 111.202 3.002 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.488 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.041 0 O4'-C1'-N19 111.055 2.855 . 0.027 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.662 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.004 0 C5'-C4'-C3' 111.247 -2.835 . 0.057 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.473 " H2'" ' C5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C3'-C2'-C1' 104.37 3.188 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.561 " O5'" ' H6 ' ' B' ' 15' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.9 0 C5'-C4'-C3' 111.164 -2.891 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.473 ' C5 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.994 0 C5'-C4'-C3' 110.942 -3.039 . 0.108 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.468 ' C8 ' HG12 ' A' ' 18' ' ' ILE . . . . . . . . 0 P--O5' 1.613 2.03 0 C5'-C4'-C3' 111.184 -2.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.483 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.284 0 O4'-C1'-N19 110.926 2.726 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.483 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.038 0 C5'-C4'-C3' 111.17 -2.886 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.584 ' H8 ' ' OP2' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.197 0 C5'-C4'-C3' 111.175 -2.883 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.405 " H2'" ' C6 ' ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.099 0 O4'-C1'-N19 110.98 2.78 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.505 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.093 0 O4'-C1'-N19 111.204 3.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.032 0 C5'-C4'-C3' 111.259 -2.827 . 0.175 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.958 0 C5'-C4'-C3' 111.285 -2.81 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.477 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.08 0 O4'-C1'-N19 111.074 2.874 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.477 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.88 0 C5'-C4'-C3' 111.212 -2.858 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.104 0 O4'-C1'-N19 111.113 2.913 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.988 0 C5'-C4'-C3' 111.232 -2.845 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.473 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O4'-C1'-N19 111.052 2.852 . 0.301 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.438 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.937 0 O4'-C1'-N19 111.148 2.948 . 0.3 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.95 -131.03 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.064 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.476 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -120.37 36.99 4.38 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.87 -1.144 . . . . 0.0 108.967 178.635 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.87 -64.72 1.14 Allowed Glycine 0 N--CA 1.497 2.717 0 N-CA-C 108.642 -1.783 . . . . 0.0 108.642 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.88 121.75 11.91 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.832 -0.804 . . . . 0.0 108.923 178.866 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' A' ' 3' ' ' GLU . 25.5 mttt -145.62 -80.27 0.16 Allowed 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.727 -1.233 . . . . 0.0 110.692 -178.622 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' CE ' ' OG ' ' A' ' 8' ' ' SER . 0.0 OUTLIER 55.62 77.89 0.21 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.417 -0.802 . . . . 0.0 110.894 -179.721 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.49 ' OG ' ' CE ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER 64.77 76.5 0.32 Allowed Pre-proline 0 N--CA 1.507 2.415 0 O-C-N 121.482 -0.761 . . . . 0.0 111.275 178.735 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 37.5 Cg_endo -79.85 104.67 1.72 Allowed 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 122.816 2.344 . . . . 0.0 111.154 179.418 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.65 -56.92 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.367 0 O-C-N 121.262 -0.899 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.45 ' OG ' ' N2 ' ' B' ' 18' ' ' ' G' . 0.1 OUTLIER -48.42 -48.29 37.3 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.005 -1.059 . . . . 0.0 110.805 -179.528 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.429 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 26.4 mt-30 -56.14 -43.78 78.57 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.964 -1.085 . . . . 0.0 109.512 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.779 HG22 HD11 ' A' ' 70' ' ' LEU . 48.1 t -62.14 -41.0 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.153 -0.967 . . . . 0.0 109.005 178.649 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.646 ' HA ' HG11 ' A' ' 24' ' ' VAL . 13.3 m-70 -64.12 -45.88 86.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.287 -0.883 . . . . 0.0 108.941 179.048 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 5.8 mm-40 -63.64 -48.8 75.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.704 -0.622 . . . . 0.0 110.368 179.689 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.509 HG12 ' HA ' ' A' ' 13' ' ' VAL . 46.2 pt -60.7 -33.13 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.656 -1.277 . . . . 0.0 109.507 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -71.17 -56.64 6.79 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 108.461 -1.856 . . . . 0.0 108.461 178.537 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -40.14 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -1.166 . . . . 0.0 109.387 178.748 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.578 ' NZ ' ' O2 ' ' B' ' 15' ' ' ' U' . 0.3 OUTLIER -54.68 -25.89 30.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.53 -0.731 . . . . 0.0 110.142 179.579 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -104.89 23.31 13.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 109.585 179.227 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 66.4 m-80 63.82 29.53 14.69 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.293 -0.88 . . . . 0.0 110.021 -179.596 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.51 ' CE ' HG22 ' A' ' 46' ' ' VAL . 24.8 mtp -107.73 131.23 54.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.087 -1.008 . . . . 0.0 110.063 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.432 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 5.1 p -72.54 119.01 16.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.232 -0.917 . . . . 0.0 109.881 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.74 HG22 HG23 ' A' ' 46' ' ' VAL . 12.5 t -115.7 106.63 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.39 -0.819 . . . . 0.0 109.595 179.733 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.67 ' HB2' HG22 ' A' ' 45' ' ' ILE . 52.9 m-70 -120.93 131.8 54.57 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.194 -0.941 . . . . 0.0 109.698 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 44' ' ' CYS . 3.3 m-85 -121.92 108.97 14.06 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.479 -0.763 . . . . 0.0 110.047 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.3 mmtt -150.59 172.19 15.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.92 -1.112 . . . . 0.0 109.942 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.86 131.46 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.724 -1.235 . . . . 0.0 109.688 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.077 HD23 ' HB2' ' A' ' 43' ' ' ALA . 1.2 pp -85.82 -21.36 28.15 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.603 -0.685 . . . . 0.0 110.687 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 31' ' ' GLU . 1.0 OUTLIER -175.9 144.34 0.61 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.982 -1.074 . . . . 0.0 109.995 -179.901 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -94.42 -162.66 0.96 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.317 -0.864 . . . . 0.0 109.679 179.544 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.521 ' C ' ' HD2' ' A' ' 34' ' ' PRO . 0.6 OUTLIER -65.49 -72.15 0.16 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.167 -0.958 . . . . 0.0 110.513 179.943 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.78 -59.74 0.45 Allowed Glycine 0 N--CA 1.501 2.995 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.521 ' HD2' ' C ' ' A' ' 32' ' ' GLU . 33.7 Cg_endo -76.22 83.23 2.04 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 C-N-CA 122.336 2.024 . . . . 0.0 112.129 -178.638 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 65.34 10.14 6.26 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.512 -0.743 . . . . 0.0 112.037 178.866 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.461 ' HB3' " H4'" ' B' ' 4' ' ' ' C' . 0.1 OUTLIER 55.49 88.25 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 O-C-N 121.15 -0.969 . . . . 0.0 110.235 178.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mmt -78.57 -88.33 0.05 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.943 -1.098 . . . . 0.0 110.502 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' CE ' " H4'" ' B' ' 3' ' ' ' A' . 1.5 mttt -173.27 32.12 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 O-C-N 121.295 -0.878 . . . . 0.0 111.057 -179.453 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -129.34 101.1 5.83 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.086 -1.009 . . . . 0.0 109.105 179.404 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 31' ' ' GLU . 5.1 m-85 -106.17 149.82 26.44 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.089 -1.007 . . . . 0.0 110.63 -179.328 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 41' ' ' ILE . 5.3 mp -116.6 105.75 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.365 -0.835 . . . . 0.0 109.438 179.802 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.524 ' O ' ' HA3' ' A' ' 53' ' ' GLY . 63.0 m -85.53 121.93 28.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.375 -0.828 . . . . 0.0 109.235 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 1.077 ' HB2' HD23 ' A' ' 29' ' ' LEU . . . -86.81 112.5 21.77 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.876 -1.14 . . . . 0.0 108.797 179.34 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.581 ' HB2' ' HE3' ' A' ' 69' ' ' MET . 25.9 m -117.19 131.23 56.91 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.775 -1.203 . . . . 0.0 109.175 -179.617 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.67 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.8 tt -119.43 124.58 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.864 -1.148 . . . . 0.0 109.494 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.74 HG23 HG22 ' A' ' 24' ' ' VAL . 12.7 p -147.98 66.45 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 CA-C-O 121.965 0.888 . . . . 0.0 109.759 -179.299 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.4 -82.23 0.01 OUTLIER Glycine 0 N--CA 1.505 3.295 0 O-C-N 121.174 -0.954 . . . . 0.0 111.943 179.068 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.531 ' HB3' HD21 ' A' ' 73' ' ' LEU . 8.0 t -76.46 -22.89 54.0 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.311 -1.111 . . . . 0.0 111.591 -178.494 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.735 HG21 ' HG2' ' A' ' 69' ' ' MET . 39.5 mm -119.49 148.73 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 O-C-N 120.621 -1.3 . . . . 0.0 110.982 -179.169 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.067 HG12 HG22 ' A' ' 51' ' ' THR . 55.3 t -137.83 160.79 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.547 -0.721 . . . . 0.0 109.322 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' THR . . . . . 1.067 HG22 HG12 ' A' ' 50' ' ' VAL . 1.8 t 21.09 -108.07 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.851 178.61 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.637 ' H ' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER 40.2 22.43 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.563 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.524 ' HA3' ' O ' ' A' ' 42' ' ' THR . . . -93.76 120.13 6.2 Favored Glycine 0 N--CA 1.491 2.308 0 C-N-CA 119.601 -1.285 . . . . 0.0 110.326 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 -136.86 0.11 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.331 -1.099 . . . . 0.0 108.787 179.495 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.677 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . 117.97 168.18 14.36 Favored Glycine 0 N--CA 1.497 2.725 0 O-C-N 120.995 -1.066 . . . . 0.0 111.199 179.436 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 2.6 m-20 -108.9 -8.47 15.26 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.723 -0.869 . . . . 0.0 110.094 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.17 -125.78 6.78 Favored Glycine 0 N--CA 1.499 2.89 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -72.63 67.96 0.8 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.297 -1.119 . . . . 0.0 110.092 -179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -178.4 -50.95 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -153.37 147.56 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 CA-C-O 121.821 0.82 . . . . 0.0 109.385 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.677 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.2 OUTLIER 170.03 -76.83 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.266 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.724 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.494 ' HA ' HG21 ' A' ' 42' ' ' THR . 15.8 mtmt -50.57 -43.01 56.23 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.273 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -63.43 -67.65 0.41 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.636 -0.665 . . . . 0.0 109.653 179.142 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.51 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -47.89 -47.5 31.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.676 -0.64 . . . . 0.0 110.247 179.707 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.505 ' CB ' ' CA ' ' A' ' 53' ' ' GLY . . . -58.95 -44.3 91.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.335 -0.853 . . . . 0.0 109.059 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.436 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . . . -64.29 -37.02 86.0 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.213 -0.929 . . . . 0.0 109.857 179.403 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.555 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.9 mt-10 -53.86 -44.8 70.68 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.801 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -58.45 -47.16 84.93 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.396 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.735 ' HG2' HG21 ' A' ' 49' ' ' ILE . 9.0 mtt -58.99 -55.19 38.33 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.527 -0.733 . . . . 0.0 110.562 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.779 HD11 HG22 ' A' ' 13' ' ' VAL . 25.8 mt -61.02 -46.42 90.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.129 -0.982 . . . . 0.0 110.888 -179.299 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 67' ' ' GLU . 75.5 t -52.62 -47.9 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.117 -0.989 . . . . 0.0 110.461 -179.401 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -77.46 -48.38 17.27 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.409 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 48' ' ' SER . 97.4 mt -58.42 -32.18 68.42 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.109 -0.994 . . . . 0.0 111.01 -179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -85.35 7.03 23.91 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.87 -1.144 . . . . 0.0 109.845 179.228 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.94 1.06 8.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.23 -0.919 . . . . 0.0 110.855 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 117.847 -1.073 . . . . 0.0 109.983 -179.808 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 C5'-C4'-C3' 111.268 -2.822 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.186 0 C5'-C4'-C3' 111.322 -2.785 . 0.207 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.459 " H4'" ' CE ' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.935 0 C5'-C4'-C3' 111.125 -2.917 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.461 " H4'" ' HB3' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C5'-C4'-C3' 111.458 -2.695 . 0.182 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.94 0 C5'-C4'-C3' 111.15 -2.9 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.966 0 C5'-C4'-C3' 110.899 -3.067 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.984 0 C5'-C4'-C3' 110.955 -3.03 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.43 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.98 0 C5'-C4'-C3' 111.291 -2.806 . 0.272 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.204 0 C5'-C4'-C3' 111.31 -2.793 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.422 " H2'" " O4'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.962 0 C5'-C4'-C3' 111.186 -2.876 . 0.203 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.788 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.03 0 C5'-C4'-C3' 111.31 -2.793 . 0.043 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.788 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.61 1.739 0 O4'-C1'-N19 110.765 2.565 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.507 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.079 0 O4'-C1'-N19 111.937 3.737 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.559 " H2'" ' C5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.313 0 C3'-C2'-C1' 104.708 3.565 . 0.153 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.578 ' O2 ' ' NZ ' ' A' ' 19' ' ' LYS . . . . . . . . 0 P--O5' 1.614 2.148 0 C5'-C4'-C3' 111.635 -2.576 . 0.049 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.559 ' C5 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.134 0 C5'-C4'-C3' 111.325 -2.784 . 0.614 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.755 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 O4'-C1'-N19 111.077 2.877 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.755 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.284 0 C5'-C4'-C3' 111.399 -2.734 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.507 ' H21' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.022 0 C5'-C4'-C3' 111.045 -2.97 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.507 " H1'" ' H21' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.026 0 C5'-C4'-C3' 111.02 -2.987 . 0.073 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.011 0 C5'-C4'-C3' 111.182 -2.879 . 0.101 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.439 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.964 0 C5'-C4'-C3' 111.307 -2.796 . 0.363 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.09 0 C5'-C4'-C3' 111.398 -2.735 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.149 0 C5'-C4'-C3' 111.22 -2.854 . 0.012 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.018 0 O4'-C1'-N19 111.165 2.965 . 0.296 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.029 0 C5'-C4'-C3' 111.36 -2.76 . 0.426 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.154 0 O4'-C1'-N19 111.035 2.835 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.47 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.097 0 O4'-C1'-N19 111.104 2.904 . 0.222 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C5'-C4'-C3' 111.16 -2.894 . 0.211 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C5'-C4'-C3' 111.16 -2.893 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.081 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.89 -156.21 0.7 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.282 -176.516 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 55.06 68.54 0.85 Allowed 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 122.064 0.935 . . . . 0.0 109.997 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.86 95.43 0.12 Allowed Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.46 ' OD1' ' NZ ' ' A' ' 59' ' ' LYS . 54.7 m-20 -59.89 139.27 57.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.517 -0.99 . . . . 0.0 110.318 -179.535 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -127.44 -42.77 1.64 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.338 -0.851 . . . . 0.0 110.486 -179.286 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -136.15 147.29 47.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.076 -1.015 . . . . 0.0 109.931 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.7 t -86.05 134.37 39.12 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 121.257 -0.902 . . . . 0.0 110.014 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.642 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.9 Cg_endo -75.53 -45.5 0.25 Allowed 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.25 1.967 . . . . 0.0 109.914 179.079 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' A' ' 62' ' ' LYS . 10.0 mt -57.65 -47.35 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.411 -0.805 . . . . 0.0 109.801 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 p -61.41 -52.73 63.38 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.946 -1.096 . . . . 0.0 109.326 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -57.84 -42.95 85.44 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.135 -0.978 . . . . 0.0 109.203 179.275 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.827 ' HA ' HD21 ' A' ' 70' ' ' LEU . 98.4 t -63.29 -42.42 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -58.08 -41.72 84.06 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -59.82 -57.89 10.94 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.7 mm -46.43 -43.4 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.331 -0.856 . . . . 0.0 110.195 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 -51.45 10.28 Favored Glycine 0 N--CA 1.498 2.799 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.35 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 18' ' ' ILE . 32.8 mm -79.39 50.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 122.134 0.968 . . . . 0.0 109.481 179.264 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -148.87 -45.11 0.15 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.563 -1.336 . . . . 0.0 109.562 179.599 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 32.6 mtm180 -93.28 -72.2 0.62 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 178.674 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER 173.27 55.53 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.633 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.561 ' HB3' HG12 ' A' ' 46' ' ' VAL . 22.5 mtt -143.4 130.35 20.55 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.845 -1.159 . . . . 0.0 110.95 -179.113 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -74.98 153.96 38.3 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.312 -0.867 . . . . 0.0 109.315 179.136 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.4 t -128.21 106.71 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.217 -0.927 . . . . 0.0 109.376 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.844 ' HB2' HG22 ' A' ' 45' ' ' ILE . 70.6 m-70 -116.63 121.24 41.13 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.071 -1.018 . . . . 0.0 110.104 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 10.4 m-85 -114.12 134.88 54.59 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.401 -0.812 . . . . 0.0 109.262 179.42 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -154.93 132.77 11.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.99 -1.069 . . . . 0.0 110.703 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.651 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 74.1 t -79.45 146.38 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.128 -0.982 . . . . 0.0 109.067 179.027 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.54 HD12 HG12 ' A' ' 41' ' ' ILE . 7.5 mt -91.43 -59.07 2.24 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.298 -0.876 . . . . 0.0 109.501 -179.772 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 41' ' ' ILE . 5.4 ttt180 179.23 -168.54 0.09 Allowed 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.415 0.626 . . . . 0.0 110.474 179.58 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 11.2 mp0 -109.44 161.46 15.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.642 -0.661 . . . . 0.0 110.098 -178.868 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.478 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 6.0 mm-40 -77.63 64.13 2.87 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.073 -1.017 . . . . 0.0 109.878 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.46 -159.02 14.08 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -179.547 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -77.12 -90.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.31 2.007 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.7 100.28 2.82 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.586 -1.321 . . . . 0.0 109.979 -179.654 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.512 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . 7.9 t60 -173.86 79.36 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.976 -1.078 . . . . 0.0 110.52 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.91 82.99 0.06 Allowed 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.34 -0.85 . . . . 0.0 110.753 179.589 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' A' ' 36' ' ' HIS . 4.2 mttp -150.15 144.29 25.59 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.388 -0.82 . . . . 0.0 110.169 -179.539 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -82.71 172.3 13.06 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.516 -0.74 . . . . 0.0 109.538 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 1.5 m-85 -105.29 -172.83 2.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.229 -0.919 . . . . 0.0 109.657 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 41' ' ' ILE . 3.7 tp -153.3 108.8 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.061 -1.025 . . . . 0.0 109.578 179.544 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.651 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 90.8 m -110.09 121.05 44.35 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.058 -1.026 . . . . 0.0 109.682 -179.414 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -93.87 152.12 19.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.263 -0.898 . . . . 0.0 109.483 179.568 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.562 ' HB2' ' HE3' ' A' ' 69' ' ' MET . 25.0 p -144.51 143.3 30.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.979 . . . . 0.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.844 HG22 ' HB2' ' A' ' 25' ' ' HIS . 7.7 tt -126.35 142.09 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.074 -1.016 . . . . 0.0 111.03 -179.336 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.71 HG22 ' HE1' ' A' ' 69' ' ' MET . 1.7 t -105.97 171.28 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.628 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -37.07 -46.36 1.25 Allowed Glycine 0 N--CA 1.508 3.484 0 O-C-N 121.313 -0.867 . . . . 0.0 111.262 179.887 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.9 p -141.99 38.37 1.61 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.083 -1.245 . . . . 0.0 110.294 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 24.4 mm -148.22 154.88 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.162 -0.961 . . . . 0.0 109.657 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.676 HG13 HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -129.98 140.01 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.834 -1.166 . . . . 0.0 109.127 179.029 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.505 ' HB ' ' SG ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -146.34 163.68 34.8 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.236 -0.915 . . . . 0.0 109.967 -179.804 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -126.88 170.01 12.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.08 -1.013 . . . . 0.0 109.814 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.485 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -155.24 113.68 0.58 Allowed Glycine 0 N--CA 1.498 2.776 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -179.687 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.836 -0.802 . . . . 0.0 110.967 -179.752 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.629 ' HA3' ' CA ' ' A' ' 61' ' ' SER . . . 74.62 91.39 0.17 Allowed Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -178.848 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' GLY . 4.1 t30 -32.92 -63.92 0.2 Allowed 'General case' 0 N--CA 1.508 2.452 0 O-C-N 121.758 -0.848 . . . . 0.0 111.549 -179.319 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' LYS . . . -177.97 147.38 8.03 Favored Glycine 0 N--CA 1.5 2.93 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 59.96 -81.94 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.702 -0.881 . . . . 0.0 109.676 -179.661 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' SER . 12.6 tttt -95.0 -155.34 0.46 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.096 -1.003 . . . . 0.0 109.063 179.07 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.3 t 64.55 -63.16 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 121.323 -0.861 . . . . 0.0 110.446 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.685 ' OG ' ' NZ ' ' A' ' 62' ' ' LYS . 33.6 p -44.73 -64.37 0.71 Allowed 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.396 -0.815 . . . . 0.0 111.357 -179.785 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.685 ' NZ ' ' OG ' ' A' ' 61' ' ' SER . 2.9 mttp -61.14 -12.69 13.36 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.503 -0.748 . . . . 0.0 111.46 -179.136 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -60.38 1.53 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.848 -1.158 . . . . 0.0 109.232 178.928 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -56.55 -45.76 81.06 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.531 -0.73 . . . . 0.0 110.202 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.485 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -59.49 -47.33 85.93 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.299 -0.876 . . . . 0.0 109.45 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.693 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -66.98 -37.98 85.22 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.495 -0.753 . . . . 0.0 110.223 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -53.73 -50.95 64.84 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.269 -0.894 . . . . 0.0 110.222 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' HG22 ' A' ' 71' ' ' VAL . 4.8 tttp -65.34 -41.24 94.11 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.148 -0.97 . . . . 0.0 109.867 179.528 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.71 ' HE1' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -63.73 -43.34 96.81 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.736 -1.228 . . . . 0.0 110.086 179.687 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.827 HD21 ' HA ' ' A' ' 13' ' ' VAL . 15.0 mt -60.5 -48.2 82.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.985 -1.072 . . . . 0.0 110.493 -179.681 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 68' ' ' LYS . 27.1 m -60.55 -28.36 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.893 -1.129 . . . . 0.0 109.395 179.309 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -59.69 2.68 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.571 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.643 HD11 HG21 ' A' ' 46' ' ' VAL . 10.9 mp -54.64 -24.01 19.71 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.642 -0.661 . . . . 0.0 110.61 179.174 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -35.35 64.05 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.963 -1.086 . . . . 0.0 109.807 179.538 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -109.99 -31.06 7.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.131 -0.981 . . . . 0.0 110.583 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.723 -179.885 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.908 0 C5'-C4'-C3' 111.202 -2.865 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 0 C5'-C4'-C3' 110.917 -3.056 . 0.189 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 111.349 -2.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 C5'-C4'-C3' 111.401 -2.733 . 0.171 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.012 0 C5'-C4'-C3' 111.39 -2.74 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.067 0 C5'-C4'-C3' 111.286 -2.81 . 0.366 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.467 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.01 0 C5'-C4'-C3' 111.247 -2.836 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.467 ' C6 ' " H2'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.153 0 C5'-C4'-C3' 111.363 -2.758 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.091 0 O4'-C1'-N19 110.987 2.787 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.4 " O5'" ' H6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.12 0 C5'-C4'-C3' 111.359 -2.761 . 0.245 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.078 0 C5'-C4'-C3' 111.192 -2.872 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.427 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.075 0 O4'-C1'-N19 111.03 2.83 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.585 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.049 0 C5'-C4'-C3' 111.142 -2.905 . 0.155 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.586 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C3'-C2'-C1' 104.426 3.251 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.46 " H4'" ' OP2' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.967 0 C5'-C4'-C3' 111.151 -2.899 . 0.12 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.586 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.043 0 C5'-C4'-C3' 111.174 -2.884 . 0.148 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.611 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.054 0 C5'-C4'-C3' 111.022 -2.985 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.547 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.141 0 C5'-C4'-C3' 111.205 -2.863 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.547 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.227 0 C5'-C4'-C3' 111.033 -2.978 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.988 0 C5'-C4'-C3' 111.042 -2.972 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.402 " H2'" " O4'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.969 0 C5'-C4'-C3' 111.083 -2.945 . 0.187 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.826 HO2' ' H8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.325 0 C5'-C4'-C3' 110.879 -3.081 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.826 ' H8 ' HO2' ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.169 0 P-O3'-C3' 123.405 3.088 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.104 0 O4'-C1'-N19 111.142 2.942 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 C5'-C4'-C3' 111.272 -2.819 . 0.353 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.051 0 O4'-C1'-N19 111.029 2.829 . 0.07 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.939 0 C5'-C4'-C3' 111.285 -2.81 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.418 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.895 0 O4'-C1'-N19 111.02 2.82 . 0.199 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.113 0 C5'-C4'-C3' 111.336 -2.776 . 0.295 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.14 0 O4'-C1'-N19 111.241 3.041 . 0.087 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.53 142.82 47.23 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.406 -178.228 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.39 -60.85 2.06 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.603 -0.685 . . . . 0.0 110.466 -179.133 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.06 105.81 0.43 Allowed Glycine 0 N--CA 1.5 2.924 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -179.431 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.497 ' O ' ' NZ ' ' A' ' 7' ' ' LYS . 12.6 p-10 -88.8 -36.64 15.95 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.133 -1.216 . . . . 0.0 109.846 179.593 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -170.84 0.91 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.897 -1.127 . . . . 0.0 109.503 178.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.548 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -149.71 138.19 20.73 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.974 -1.079 . . . . 0.0 108.795 179.49 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.06 88.45 7.0 Favored Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.307 -0.871 . . . . 0.0 110.527 -179.328 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.548 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 35.7 Cg_endo -76.67 -45.4 0.19 Allowed 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 122.248 1.965 . . . . 0.0 110.518 179.279 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -49.91 -52.17 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.308 -0.87 . . . . 0.0 109.962 179.723 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -62.32 1.86 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.381 -0.824 . . . . 0.0 109.448 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.421 ' O ' HG12 ' A' ' 16' ' ' ILE . 5.1 mt-30 -51.93 -38.58 56.88 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.53 -0.731 . . . . 0.0 110.321 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.705 HG22 HD21 ' A' ' 70' ' ' LEU . 39.1 t -60.52 -48.95 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 120.871 -1.143 . . . . 0.0 108.559 178.851 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.588 ' HA ' HG11 ' A' ' 24' ' ' VAL . 14.4 m-70 -64.11 -38.21 90.25 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.387 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 19.4 mt-10 -61.2 -55.48 31.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.68 -0.638 . . . . 0.0 109.795 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.445 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 48.8 pt -61.94 -34.48 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.019 -1.05 . . . . 0.0 110.571 -179.585 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.14 -49.33 72.36 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.494 HG12 " O4'" ' B' ' 17' ' ' ' G' . 1.3 mp -81.05 -33.98 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.394 -1.063 . . . . 0.0 110.468 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -60.6 -19.42 57.73 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.719 -1.238 . . . . 0.0 110.544 179.789 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HD3' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -115.9 -77.63 0.57 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.583 -0.698 . . . . 0.0 109.458 179.691 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 175.31 50.87 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.307 -0.871 . . . . 0.0 110.273 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.406 ' HA ' ' HA3' ' A' ' 47' ' ' GLY . 34.4 mtt -135.96 121.26 19.14 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.597 -1.314 . . . . 0.0 111.157 -179.412 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.445 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -78.21 104.48 8.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.259 -0.901 . . . . 0.0 109.093 178.959 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.588 HG11 ' HA ' ' A' ' 14' ' ' HIS . 14.8 p -97.2 119.34 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.285 -0.884 . . . . 0.0 110.081 -179.434 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.751 ' HB2' HG22 ' A' ' 45' ' ' ILE . 22.2 m-70 -131.79 121.7 24.59 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.955 -1.091 . . . . 0.0 110.11 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 44' ' ' CYS . 68.3 m-85 -105.07 86.51 2.45 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.383 -0.823 . . . . 0.0 109.924 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -97.15 157.01 16.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.319 -0.863 . . . . 0.0 111.133 -179.449 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -106.36 160.89 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.781 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 6.8 mt -107.91 -68.32 0.91 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.94 -1.1 . . . . 0.0 109.991 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 7.0 ttt-85 176.12 83.03 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 1.9 mp0 -108.0 156.97 18.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.27 -0.893 . . . . 0.0 110.851 -178.796 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 59.2 -162.02 0.25 Allowed 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 121.627 0.727 . . . . 0.0 110.975 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.39 -64.91 0.58 Allowed Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -179.072 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -81.72 14.1 2.28 Favored 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 122.681 2.254 . . . . 0.0 111.818 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 53.05 22.82 2.65 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.999 -1.063 . . . . 0.0 110.936 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -127.8 15.0 6.95 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.108 -0.995 . . . . 0.0 110.512 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.8 ttt -116.24 -39.77 3.36 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.866 -1.146 . . . . 0.0 110.019 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HE3' " C4'" ' B' ' 3' ' ' ' A' . 0.7 OUTLIER 42.68 46.5 4.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.705 -0.622 . . . . 0.0 111.105 178.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' A' ' 56' ' ' ASN . 15.1 m-80 -148.77 137.24 21.17 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.287 -0.883 . . . . 0.0 109.847 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.412 ' C ' HG13 ' A' ' 41' ' ' ILE . 48.3 m-85 -123.13 153.12 40.42 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.224 -0.923 . . . . 0.0 110.678 -179.61 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.563 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 47.3 mt -146.97 84.27 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.296 -0.877 . . . . 0.0 109.759 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.407 HG21 ' CD ' ' A' ' 62' ' ' LYS . 1.8 m -77.25 118.89 20.19 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.879 -1.138 . . . . 0.0 109.48 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.09 136.17 39.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.012 -1.055 . . . . 0.0 109.52 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 11.0 p -124.53 131.02 53.49 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.947 -1.096 . . . . 0.0 110.496 -179.644 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.751 HG22 ' HB2' ' A' ' 25' ' ' HIS . 12.7 tt -115.81 141.99 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.36 -0.838 . . . . 0.0 109.266 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' SER . 4.8 p -132.2 157.76 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.443 -0.786 . . . . 0.0 109.177 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 22' ' ' MET . . . -64.72 67.51 0.07 OUTLIER Glycine 0 N--CA 1.508 3.447 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.331 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 46' ' ' VAL . 12.0 p 169.0 -38.0 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.873 -0.781 . . . . 0.0 109.879 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.4 -178.28 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.059 -1.025 . . . . 0.0 110.762 -179.379 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.649 HG22 HG13 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -139.61 142.87 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.323 -0.861 . . . . 0.0 109.059 179.297 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.7 m -144.35 157.03 44.47 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.617 -0.677 . . . . 0.0 109.556 179.334 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 1.6 pm0 -93.49 132.16 38.03 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.798 -1.189 . . . . 0.0 109.862 179.557 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.703 ' HA3' ' CB ' ' A' ' 65' ' ' ALA . . . -96.58 81.29 0.74 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -75.5 136.97 40.61 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.681 -0.893 . . . . 0.0 110.641 179.859 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.585 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -146.91 135.36 5.67 Favored Glycine 0 N--CA 1.499 2.86 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 178.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.573 ' O ' ' HA ' ' A' ' 39' ' ' ASN . 5.0 t-20 -50.17 -64.9 0.67 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.277 -1.131 . . . . 0.0 110.928 -178.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 59' ' ' LYS . . . 139.47 -30.06 2.44 Favored Glycine 0 N--CA 1.501 3.003 0 O-C-N 120.705 -1.247 . . . . 0.0 110.002 -179.486 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 12.9 tttp -66.32 74.39 0.09 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.383 -1.069 . . . . 0.0 109.381 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 18.6 ttpt 79.58 0.55 2.21 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.581 -0.7 . . . . 0.0 110.364 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.522 ' O ' ' HB3' ' A' ' 61' ' ' SER . 12.1 p -127.99 157.29 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 120.723 -1.236 . . . . 0.0 110.689 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.585 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 79.1 p 164.38 -90.99 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.027 179.475 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.41 ' N ' ' OG ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -55.66 -36.92 67.6 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.298 -0.876 . . . . 0.0 109.441 179.299 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -60.03 -61.74 2.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.385 -0.822 . . . . 0.0 108.836 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HG2' ' CG2' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -55.53 -30.55 60.91 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.516 -0.74 . . . . 0.0 109.856 179.116 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.703 ' CB ' ' HA3' ' A' ' 53' ' ' GLY . . . -67.65 -54.15 21.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 109.34 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.493 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -65.37 -40.64 93.81 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.323 -0.861 . . . . 0.0 109.466 179.306 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 71' ' ' VAL . 37.2 mt-10 -51.75 -47.71 63.97 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.317 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HE3' ' HG3' ' A' ' 54' ' ' GLU . 28.1 mttm -58.77 -56.67 19.23 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.7 ttm -49.2 -54.06 18.32 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.463 -0.773 . . . . 0.0 110.508 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.705 HD21 HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -61.56 -47.81 83.85 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.956 -1.09 . . . . 0.0 109.824 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 67' ' ' GLU . 55.2 t -55.78 -41.45 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.071 -1.018 . . . . 0.0 109.189 178.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.47 -55.98 11.43 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.325 -0.86 . . . . 0.0 109.661 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.649 HD23 HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -62.83 -27.84 69.6 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.389 -0.82 . . . . 0.0 111.303 -179.303 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -85.79 6.21 29.02 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.715 -1.241 . . . . 0.0 110.547 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -132.26 3.19 3.95 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.065 -1.022 . . . . 0.0 111.228 -179.612 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.33 -0.856 . . . . 0.0 110.053 -179.669 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 0 C5'-C4'-C3' 111.293 -2.805 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.139 0 C5'-C4'-C3' 110.949 -3.034 . 0.055 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.462 " C4'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C1' 1.438 2.036 0 O4'-C1'-N19 111.217 3.017 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.438 " O5'" ' H6 ' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.075 0 C5'-C4'-C3' 111.301 -2.799 . 0.272 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.857 0 C5'-C4'-C3' 111.269 -2.82 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C5'-C4'-C3' 111.425 -2.716 . 0.016 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.838 0 C5'-C4'-C3' 110.925 -3.05 . 0.017 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.929 0 C5'-C4'-C3' 110.997 -3.002 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.962 0 C5'-C4'-C3' 111.217 -2.855 . 0.015 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.446 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.053 0 C5'-C4'-C3' 111.071 -2.952 . 0.172 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.682 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.047 0 O4'-C1'-N19 111.157 2.957 . 0.042 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.682 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.867 0 O4'-C1'-N19 111.217 3.017 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.475 " H2'" " O4'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.955 0 O4'-C1'-N19 111.952 3.752 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.551 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 C3'-C2'-C1' 104.235 3.038 . 0.327 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.844 0 O4'-C1'-N19 111.093 2.893 . 0.132 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.551 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.834 0 C5'-C4'-C3' 111.009 -2.994 . 0.276 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.69 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.959 0 C5'-C4'-C3' 110.918 -3.055 . 0.026 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.428 ' N1 ' ' O2 ' ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.124 0 C5'-C4'-C3' 111.084 -2.944 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 110.944 -3.038 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.454 ' C2 ' " H1'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.887 0 C5'-C4'-C3' 111.015 -2.99 . 0.027 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.428 ' C4 ' ' N2 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.011 0 C5'-C4'-C3' 111.272 -2.819 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.528 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.001 0 C5'-C4'-C3' 111.286 -2.809 . 0.309 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.528 ' C8 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.966 0 C5'-C4'-C3' 111.177 -2.882 . 0.303 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.125 0 C5'-C4'-C3' 111.375 -2.75 . 0.013 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.963 0 O4'-C1'-N19 111.03 2.83 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.075 0 C5'-C4'-C3' 111.224 -2.851 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.112 0 C5'-C4'-C3' 111.179 -2.88 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.424 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.997 0 C5'-C4'-C3' 111.151 -2.899 . 0.369 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.534 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.875 0 C5'-C4'-C3' 111.337 -2.775 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C5'-C4'-C3' 111.078 -2.948 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.404 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 3.0 tpt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -112.39 -64.43 1.3 Allowed 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.507 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 3.0 mp0 63.75 -58.26 0.19 Allowed 'General case' 0 N--CA 1.499 2.01 0 O-C-N 122.067 -0.395 . . . . 0.0 110.692 178.624 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . -75.57 66.44 2.36 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 108.863 -1.695 . . . . 0.0 108.863 178.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.607 ' O ' ' NZ ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.65 100.05 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.8 -0.824 . . . . 0.0 110.333 -179.031 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.5 ' C ' ' O ' ' A' ' 5' ' ' ASP . 0.4 OUTLIER 23.02 77.72 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.309 0 CA-C-O 121.539 0.685 . . . . 0.0 112.619 179.658 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.607 ' NZ ' ' O ' ' A' ' 5' ' ' ASP . 13.5 mmtm -111.12 170.74 7.9 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.803 -1.186 . . . . 0.0 109.132 178.835 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t -96.2 111.99 58.28 Favored Pre-proline 0 N--CA 1.498 1.952 0 O-C-N 121.104 -0.998 . . . . 0.0 110.291 -179.508 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.3 Cg_endo -76.99 -40.82 0.43 Allowed 'Trans proline' 0 C--N 1.318 -1.058 0 C-N-CA 122.593 2.196 . . . . 0.0 110.845 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt -49.83 -41.7 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.309 -0.87 . . . . 0.0 109.749 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -60.78 2.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.512 -0.742 . . . . 0.0 109.327 179.197 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 6.8 mt-30 -62.93 -33.74 75.99 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.437 -0.789 . . . . 0.0 109.978 179.424 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.758 HG22 HD21 ' A' ' 70' ' ' LEU . 85.1 t -57.09 -49.7 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.946 -1.096 . . . . 0.0 108.468 178.732 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -63.71 -41.17 98.14 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.233 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 47.0 mt-10 -58.08 -51.25 70.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.55 -0.719 . . . . 0.0 110.333 179.525 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 17' ' ' GLY . 38.2 pt -66.67 -38.65 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.091 -1.006 . . . . 0.0 109.665 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' N ' HG13 ' A' ' 16' ' ' ILE . . . -60.84 -52.4 52.64 Favored Glycine 0 N--CA 1.499 2.89 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 178.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.41 HD11 " H1'" ' B' ' 17' ' ' ' G' . 10.4 mt -65.67 -39.99 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.542 -0.975 . . . . 0.0 109.557 179.105 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -68.01 -34.65 76.91 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.15 -0.969 . . . . 0.0 110.392 -179.879 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.95 14.01 23.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.004 -1.06 . . . . 0.0 110.533 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 t30 56.38 40.53 29.7 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.046 -1.034 . . . . 0.0 110.0 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.1 mtt -112.17 131.46 55.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.062 -1.024 . . . . 0.0 109.957 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.25 131.53 46.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.068 -1.02 . . . . 0.0 110.163 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.41 91.11 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.425 -0.797 . . . . 0.0 108.874 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.469 ' HB2' ' HB ' ' A' ' 45' ' ' ILE . 89.6 m-70 -102.27 99.59 9.69 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.918 -1.113 . . . . 0.0 110.591 -179.019 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.408 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 4.5 m-85 -86.24 104.04 15.42 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.294 -0.879 . . . . 0.0 109.219 179.377 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -135.97 146.08 46.85 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.921 -1.112 . . . . 0.0 111.236 -179.268 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.438 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 17.3 t -102.26 162.25 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.0 -1.063 . . . . 0.0 108.801 178.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.416 HD11 ' HB ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -100.18 -73.86 0.62 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.922 -1.112 . . . . 0.0 109.459 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -172.76 -85.62 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 121.433 0.635 . . . . 0.0 109.5 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG2' HD12 ' A' ' 41' ' ' ILE . 2.4 tp10 72.65 152.42 0.12 Allowed 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.758 0.79 . . . . 0.0 111.368 179.235 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.18 55.29 3.38 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.341 -0.849 . . . . 0.0 109.518 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.529 ' HA3' ' CZ ' ' A' ' 40' ' ' PHE . . . -49.44 -52.32 24.24 Favored Glycine 0 N--CA 1.504 3.185 0 O-C-N 121.095 -1.003 . . . . 0.0 111.37 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.585 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 36.6 Cg_endo -78.64 159.97 28.3 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 122.299 1.999 . . . . 0.0 111.322 -179.573 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 76.1 -72.31 0.11 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.537 -0.727 . . . . 0.0 111.105 179.254 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -146.46 142.34 28.02 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.793 -1.192 . . . . 0.0 110.686 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 ttp 74.61 77.11 0.11 Allowed 'General case' 0 N--CA 1.504 2.266 0 CA-C-O 121.89 0.852 . . . . 0.0 109.617 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HG3' ' H ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -76.6 70.63 3.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.166 -0.959 . . . . 0.0 109.693 -179.789 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -132.57 132.3 42.41 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.88 -1.137 . . . . 0.0 109.559 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.529 ' CZ ' ' HA3' ' A' ' 33' ' ' GLY . 18.1 m-85 -123.01 98.9 6.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.05 -1.031 . . . . 0.0 110.329 -179.73 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.508 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 3.2 mp -73.54 117.86 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.199 -0.938 . . . . 0.0 109.635 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.779 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 90.5 m -96.4 128.77 43.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.131 -0.981 . . . . 0.0 109.084 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.55 111.75 24.45 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.113 -0.992 . . . . 0.0 110.485 -179.402 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.836 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 60.6 m -107.52 116.02 31.19 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.017 -1.052 . . . . 0.0 109.095 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.547 ' CG1' ' HB ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -84.07 126.29 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.913 -1.117 . . . . 0.0 110.617 -179.188 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.75 HG22 ' CE ' ' A' ' 69' ' ' MET . 2.2 t -97.56 158.07 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 178.284 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.3 69.48 0.03 OUTLIER Glycine 0 N--CA 1.505 3.271 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 46' ' ' VAL . 1.7 m 164.41 -42.81 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 122.044 -0.68 . . . . 0.0 109.207 -179.611 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -158.17 -152.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.547 ' HB ' ' CG1' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -137.02 150.56 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.436 -1.415 . . . . 0.0 110.361 179.24 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.499 ' OG1' ' HG3' ' A' ' 69' ' ' MET . 6.7 p -117.9 117.34 29.01 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.431 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -88.21 142.02 28.09 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.361 -0.837 . . . . 0.0 110.477 -179.104 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.56 101.01 0.49 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 15.3 mt-10 -72.21 79.08 0.97 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.431 -1.04 . . . . 0.0 110.379 -179.6 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -83.49 155.46 32.38 Favored Glycine 0 N--CA 1.5 2.936 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 179.799 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -68.28 -15.43 63.57 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.117 -1.225 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.38 -97.84 0.78 Allowed Glycine 0 N--CA 1.499 2.892 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -73.1 -31.56 64.42 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.452 -1.028 . . . . 0.0 110.699 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -83.4 -43.65 15.66 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.056 -1.027 . . . . 0.0 109.729 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.498 HG12 ' HB2' ' A' ' 64' ' ' ARG . 2.0 t -143.48 146.7 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.298 -0.876 . . . . 0.0 109.319 179.534 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.468 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 82.0 p -174.73 -91.59 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.431 ' N ' ' OG ' ' A' ' 61' ' ' SER . 15.0 mttt -56.03 -34.5 65.92 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.247 -0.908 . . . . 0.0 108.778 178.47 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' NZ ' ' CD ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -64.84 -46.85 80.16 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.408 -0.807 . . . . 0.0 109.534 178.902 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.498 ' HB2' HG12 ' A' ' 60' ' ' VAL . 2.3 tpt180 -62.92 -44.65 95.5 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.352 -0.842 . . . . 0.0 109.014 179.153 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.836 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -60.01 -45.07 93.97 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.651 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.01 90.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.466 -0.771 . . . . 0.0 109.54 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' CD ' ' NZ ' ' A' ' 63' ' ' LYS . 26.9 mt-10 -54.52 -41.02 69.17 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.437 -0.79 . . . . 0.0 109.713 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.49 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -66.89 -57.27 7.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.228 -0.92 . . . . 0.0 108.972 178.857 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.75 ' CE ' HG22 ' A' ' 46' ' ' VAL . 1.7 mtt -49.11 -50.77 35.59 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.531 -0.731 . . . . 0.0 110.45 179.568 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.758 HD21 HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -65.51 -48.74 71.51 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.151 -0.968 . . . . 0.0 111.483 -179.162 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 68' ' ' LYS . 6.8 p -65.31 -38.4 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.766 -1.209 . . . . 0.0 110.61 -179.068 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.49 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -69.54 -55.72 9.38 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.129 -0.982 . . . . 0.0 109.852 179.888 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.819 HD23 HD11 ' A' ' 76' ' ' LEU . 37.6 mt -58.62 -22.17 55.64 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.978 -1.076 . . . . 0.0 110.595 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.558 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -55.31 -35.78 65.5 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 177.842 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.558 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 79.8 mttt -156.32 88.82 1.09 Allowed 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.469 0.652 . . . . 0.0 109.568 177.875 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.819 HD11 HD23 ' A' ' 73' ' ' LEU . 5.2 mt . . . . . 0 C--N 1.291 -1.943 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.981 179.565 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.432 " H1'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C3'-C2'-C1' 104.008 2.786 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.432 " O4'" " H1'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C3'-C2'-C1' 104.454 3.282 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.157 0 C5'-C4'-C3' 111.096 -2.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.422 " O5'" ' H6 ' ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.962 0 C5'-C4'-C3' 111.392 -2.739 . 0.305 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.095 0 C5'-C4'-C3' 111.263 -2.825 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.061 0 C5'-C4'-C3' 111.273 -2.818 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.118 0 O4'-C1'-N19 111.116 2.916 . 0.18 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.094 0 C5'-C4'-C3' 111.127 -2.916 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . 0.407 " H2'" ' C6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.038 0 O4'-C1'-N19 110.995 2.795 . 0.376 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.511 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.017 0 O4'-C1'-N19 110.973 2.773 . 0.185 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.664 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.174 0 C5'-C4'-C3' 111.296 -2.803 . 0.068 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.664 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.085 0 O4'-C1'-N19 111.106 2.906 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.402 " O5'" ' H6 ' ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.068 0 O4'-C1'-N19 111.77 3.57 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.782 " O2'" ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C3'-C2'-C1' 104.72 3.578 . 0.096 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.089 0 O4'-C1'-N19 111.691 3.491 . 0.139 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.782 ' H5 ' " O2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.945 0 O4'-C1'-N19 111.462 3.262 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.718 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.835 0 O4'-C1'-N19 111.225 3.025 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.718 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 C5'-C4'-C3' 111.508 -2.661 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.049 0 C5'-C4'-C3' 111.199 -2.868 . 0.229 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.664 " O2'" " H5'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.086 0 O4'-C1'-N19 111.091 2.891 . 0.146 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.664 " H5'" " O2'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.911 0 C5'-C4'-C3' 111.237 -2.842 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.406 ' C6 ' " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.017 0 C5'-C4'-C3' 111.248 -2.835 . 0.26 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.409 " C2'" H5'' ' B' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.971 0 C5'-C4'-C3' 111.195 -2.87 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . 0.409 H5'' " C2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.058 0 O4'-C1'-N19 111.072 2.872 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.471 ' H6 ' " O5'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.114 0 O4'-C1'-N19 111.135 2.935 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.585 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.118 0 O4'-C1'-N19 111.033 2.833 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.955 0 C5'-C4'-C3' 111.263 -2.825 . 0.241 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.988 0 C5'-C4'-C3' 111.196 -2.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.408 " H2'" " O4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.935 0 C5'-C4'-C3' 111.194 -2.871 . 0.132 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.408 " O4'" " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.06 0 O4'-C1'-N19 111.111 2.911 . 0.037 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mtt . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.91 58.87 1.23 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.848 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.83 22.8 14.11 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.372 -0.83 . . . . 0.0 110.631 -178.51 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.69 -8.25 71.72 Favored Glycine 0 N--CA 1.502 3.07 0 O-C-N 120.88 -1.138 . . . . 0.0 110.819 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.416 ' O ' ' CE ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -63.03 -60.01 4.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.109 -1.23 . . . . 0.0 109.551 179.759 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 12.3 mmtt -84.49 175.39 9.33 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.027 -1.046 . . . . 0.0 109.547 179.524 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 172.56 -156.82 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.337 -0.852 . . . . 0.0 109.394 -179.472 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.5 p -97.28 107.15 36.73 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.152 -0.967 . . . . 0.0 108.96 178.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 31.5 Cg_endo -72.5 -37.32 4.3 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.124 1.883 . . . . 0.0 110.434 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.74 -39.09 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.32 -0.863 . . . . 0.0 109.776 179.085 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -65.33 0.66 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.039 -1.038 . . . . 0.0 109.318 179.298 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -57.47 -33.77 68.33 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.402 -0.811 . . . . 0.0 109.564 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.074 HG22 HD21 ' A' ' 70' ' ' LEU . 55.4 t -65.06 -38.75 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.861 -1.149 . . . . 0.0 108.514 178.251 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.524 ' HE2' ' HD2' ' A' ' 26' ' ' PHE . 4.0 m-70 -68.85 -48.68 62.87 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.526 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 37.4 mt-10 -58.66 -49.04 79.01 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.599 -0.688 . . . . 0.0 109.561 179.157 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.3 mt -70.22 -32.73 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.1 -1.0 . . . . 0.0 108.548 178.805 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.446 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -51.18 -41.92 47.8 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -88.28 -43.42 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 120.841 -1.387 . . . . 0.0 107.953 178.673 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 5.8 tptt -53.59 -34.21 57.6 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.686 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.509 ' HB3' ' HG3' ' A' ' 22' ' ' MET . 0.0 OUTLIER -104.66 24.59 11.52 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.047 -1.033 . . . . 0.0 110.904 -179.208 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.27 38.03 23.72 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.091 -1.006 . . . . 0.0 110.713 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.509 ' HG3' ' HB3' ' A' ' 20' ' ' ARG . 2.4 mtt -99.71 -35.95 9.64 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.996 -1.065 . . . . 0.0 109.968 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.451 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER 64.81 66.33 0.58 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.224 -0.922 . . . . 0.0 109.932 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.577 HG21 HG12 ' A' ' 13' ' ' VAL . 62.6 t -66.19 102.22 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.108 -0.995 . . . . 0.0 109.437 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.541 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 19.3 m-70 -108.27 112.16 24.49 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.245 -0.909 . . . . 0.0 110.14 -179.492 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.524 ' HD2' ' HE2' ' A' ' 14' ' ' HIS . 29.8 m-85 -89.47 137.77 32.03 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.325 -0.859 . . . . 0.0 110.24 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -151.17 124.52 8.87 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.455 -0.778 . . . . 0.0 109.779 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.9 t -90.25 135.21 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.906 -1.121 . . . . 0.0 109.533 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mt -82.71 -36.93 25.4 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.264 -0.897 . . . . 0.0 109.21 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -168.08 141.05 3.14 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.42 -0.8 . . . . 0.0 109.55 179.674 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 3.4 pt-20 -113.61 128.23 56.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.428 -0.795 . . . . 0.0 109.898 -179.542 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 50.83 -151.28 0.22 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.448 -0.782 . . . . 0.0 110.385 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.869 ' O ' " H4'" ' B' ' 4' ' ' ' C' . . . -171.84 175.63 45.17 Favored Glycine 0 N--CA 1.5 2.926 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.756 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -73.08 -31.56 9.53 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.222 1.948 . . . . 0.0 111.22 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' HA ' ' H21' ' B' ' 2' ' ' ' G' . . . -169.85 141.32 2.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.081 -1.012 . . . . 0.0 110.154 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.4 m80 67.92 170.13 0.27 Allowed 'General case' 0 N--CA 1.503 2.201 0 CA-C-O 121.364 0.602 . . . . 0.0 110.844 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 33.75 73.2 0.08 Allowed 'General case' 0 N--CA 1.508 2.432 0 CA-C-O 121.41 0.624 . . . . 0.0 112.377 179.447 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.613 ' NZ ' " O2'" ' B' ' 2' ' ' ' G' . 0.2 OUTLIER -91.88 100.19 12.91 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.948 -1.095 . . . . 0.0 108.799 178.463 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -147.83 153.72 39.53 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.243 -0.911 . . . . 0.0 110.364 -179.296 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CG ' ' HA2' ' A' ' 57' ' ' GLY . 1.1 m-85 -106.51 127.53 53.38 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.144 -0.973 . . . . 0.0 110.002 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.2 95.87 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.857 -1.152 . . . . 0.0 109.739 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -97.14 123.13 40.81 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.261 -0.899 . . . . 0.0 109.493 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.705 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -102.6 168.38 9.31 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.113 -0.992 . . . . 0.0 109.917 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.647 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -160.21 154.37 23.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.097 -1.002 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.41 HG13 HG13 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -110.25 132.29 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.097 -1.002 . . . . 0.0 110.004 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 46' ' ' VAL . 13.1 p -122.21 95.42 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-O 121.998 0.904 . . . . 0.0 109.812 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.17 -100.97 0.69 Allowed Glycine 0 N--CA 1.5 2.912 0 O-C-N 120.767 -1.208 . . . . 0.0 110.306 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.5 t -118.89 24.91 10.57 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.265 -1.138 . . . . 0.0 110.146 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.63 154.46 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.064 -1.022 . . . . 0.0 109.34 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.41 HG13 HG13 ' A' ' 45' ' ' ILE . 1.2 t -118.22 145.99 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.136 -0.978 . . . . 0.0 109.001 179.233 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.8 152.71 43.97 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.561 -0.712 . . . . 0.0 109.506 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.705 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 10.8 pt-20 -121.95 165.16 16.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.101 -0.999 . . . . 0.0 110.006 179.847 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.17 109.64 0.72 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 66.25 0.33 Allowed 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 121.833 0.825 . . . . 0.0 109.915 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.583 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -64.36 147.12 50.78 Favored Glycine 0 N--CA 1.498 2.805 0 O-C-N 121.099 -1.001 . . . . 0.0 110.659 -179.738 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -68.08 -8.88 41.8 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.305 -1.115 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.603 ' HA2' ' CG ' ' A' ' 40' ' ' PHE . . . 105.28 -112.19 3.93 Favored Glycine 0 N--CA 1.502 3.084 0 N-CA-C 110.048 -1.221 . . . . 0.0 110.048 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -72.63 59.74 0.46 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.256 -1.144 . . . . 0.0 109.682 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 tttm 179.69 -47.23 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.525 -0.734 . . . . 0.0 109.09 -179.792 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.6 t -141.33 148.72 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.324 -0.86 . . . . 0.0 109.629 179.711 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.583 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.4 OUTLIER 175.15 -83.26 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.448 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -53.48 -38.21 63.41 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.291 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 1.2 ttmt -66.57 -65.14 0.72 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.48 -0.762 . . . . 0.0 109.926 179.285 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -44.54 -40.81 5.97 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.085 -1.009 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.444 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -69.73 -44.18 70.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.326 -0.859 . . . . 0.0 109.396 179.196 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -66.21 -54.71 21.93 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.414 -0.804 . . . . 0.0 110.684 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 3.7 mm-40 -51.22 -40.01 57.82 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.551 ' O ' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -59.35 -47.21 86.27 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.235 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.647 ' SD ' ' HB2' ' A' ' 44' ' ' CYS . 48.0 mtp -59.86 -44.25 94.23 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.122 -0.986 . . . . 0.0 109.097 178.548 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.074 HD21 HG22 ' A' ' 13' ' ' VAL . 62.6 mt -58.02 -54.55 45.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.386 -0.821 . . . . 0.0 109.757 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 68' ' ' LYS . 20.5 m -58.83 -24.76 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.861 -1.149 . . . . 0.0 109.332 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.07 -63.62 1.35 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.713 -0.617 . . . . 0.0 109.926 179.31 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.401 HD23 HG21 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -64.14 -21.37 66.52 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.834 -1.166 . . . . 0.0 110.747 179.912 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.18 17.1 1.73 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.796 -1.19 . . . . 0.0 110.145 179.16 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -13.17 9.97 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.342 -0.849 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.964 -179.7 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.825 " H1'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.981 0 C3'-C2'-C1' 104.122 2.913 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.825 " O4'" " H1'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.008 0 C5'-C4'-C3' 111.457 -2.695 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.5 " O2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.613 2.025 0 C5'-C4'-C3' 110.729 -3.181 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.869 " H4'" ' O ' ' A' ' 33' ' ' GLY . . . . . . . . 0 O4'--C1' 1.437 1.919 0 O4'-C1'-N19 110.977 2.777 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.41 ' N1 ' ' N3 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.083 0 C5'-C4'-C3' 111.115 -2.924 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.91 0 C5'-C4'-C3' 111.27 -2.82 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.958 0 C5'-C4'-C3' 111.08 -2.947 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.503 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.89 0 C5'-C4'-C3' 111.301 -2.799 . 0.202 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.03 0 C5'-C4'-C3' 111.295 -2.803 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.471 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.032 0 C5'-C4'-C3' 111.249 -2.834 . 0.17 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.1 0 C5'-C4'-C3' 111.167 -2.889 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.95 0 O4'-C1'-N19 111.263 3.063 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.031 0 C5'-C4'-C3' 111.176 -2.883 . 0.329 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.616 " H1'" ' O6 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 C5'-C4'-C3' 110.61 -3.26 . 0.273 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.405 " O3'" ' NZ ' ' A' ' 19' ' ' LYS . . . . . . . . 0 O4'--C4' 1.428 -2.092 0 O4'-C1'-N19 111.539 3.339 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.651 " O5'" ' H6 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.979 0 C5'-C4'-C3' 111.251 -2.832 . 0.081 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.616 ' O6 ' " H1'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.916 0 C5'-C4'-C3' 110.712 -3.192 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.515 ' H8 ' ' OP2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.065 0 C5'-C4'-C3' 111.094 -2.938 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.894 0 C5'-C4'-C3' 110.814 -3.124 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.637 0 C5'-C4'-C3' 110.898 -3.068 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.439 ' N3 ' " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.91 0 C5'-C4'-C3' 111.066 -2.956 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.116 0 O4'-C1'-N19 111.115 2.915 . 0.148 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.108 0 O4'-C1'-N19 111.117 2.917 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.188 0 C5'-C4'-C3' 111.391 -2.74 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.059 0 O4'-C1'-N19 111.136 2.936 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.569 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.182 0 O4'-C1'-N19 111.08 2.88 . 0.175 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.417 " O2'" " H5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C5'-C4'-C3' 111.455 -2.697 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.696 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.152 0 C5'-C4'-C3' 111.072 -2.952 . 0.088 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.428 " H2'" ' C5 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.23 0 C5'-C4'-C3' 111.066 -2.956 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.428 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.269 0 C5'-C4'-C3' 111.286 -2.809 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.439 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 37.2 ttp . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.97 0.415 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.03 57.34 4.39 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 121.54 0.686 . . . . 0.0 110.591 -178.622 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 1' ' ' MET . 11.6 mp0 -109.08 -63.78 1.31 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.072 -1.017 . . . . 0.0 109.208 179.187 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.17 -166.64 25.97 Favored Glycine 0 N--CA 1.499 2.855 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -166.49 1.08 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -1.127 . . . . 0.0 109.124 179.665 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -113.06 41.2 2.14 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.594 -1.316 . . . . 0.0 110.669 -179.224 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HA ' ' OP1' ' B' ' 20' ' ' ' G' . 32.8 mtmt -109.77 60.24 0.6 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.748 -1.22 . . . . 0.0 110.625 -179.844 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.509 ' OG ' ' HE2' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -159.94 97.05 1.53 Allowed Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 120.986 -1.072 . . . . 0.0 110.039 179.697 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -74.3 -70.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 122.451 2.1 . . . . 0.0 110.443 179.743 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.529 HG22 ' HB ' ' A' ' 13' ' ' VAL . 10.0 mm 60.21 1.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 120.931 -1.105 . . . . 0.0 112.215 178.412 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -35.41 -72.04 0.06 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.003 -1.061 . . . . 0.0 112.24 -179.373 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -40.15 -43.87 1.72 Allowed 'General case' 0 N--CA 1.507 2.409 0 O-C-N 121.267 -0.896 . . . . 0.0 111.631 -178.638 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.86 HG22 HD21 ' A' ' 70' ' ' LEU . 20.8 t -72.78 -39.62 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 120.722 -1.236 . . . . 0.0 109.183 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.528 ' HB3' ' C8 ' ' B' ' 17' ' ' ' G' . 44.8 m80 -64.45 -43.29 94.75 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.268 -0.895 . . . . 0.0 108.88 178.692 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 19.2 mt-10 -55.25 -53.74 52.24 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.247 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.821 HD12 ' CD1' ' A' ' 70' ' ' LEU . 75.2 mt -67.13 -43.54 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.225 -0.922 . . . . 0.0 109.532 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.64 -58.75 11.21 Favored Glycine 0 N--CA 1.501 2.992 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.415 ' HB ' ' H8 ' ' B' ' 17' ' ' ' G' . 0.1 OUTLIER -60.81 -36.23 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.367 -1.078 . . . . 0.0 109.45 178.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -51.34 -33.28 28.77 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.361 -0.837 . . . . 0.0 109.643 178.945 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.67 20.84 13.82 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.317 -0.865 . . . . 0.0 110.185 179.734 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 55.67 40.82 30.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.194 -0.941 . . . . 0.0 109.607 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.9 mtp -101.64 141.28 34.74 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.089 -1.007 . . . . 0.0 110.684 -179.309 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -76.4 118.84 19.5 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.19 -0.944 . . . . 0.0 109.683 179.613 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -105.78 112.46 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.479 -0.763 . . . . 0.0 109.657 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.698 ' HB2' HG22 ' A' ' 45' ' ' ILE . 14.7 m-70 -128.45 133.59 48.56 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.006 -1.059 . . . . 0.0 110.121 -179.584 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.404 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 10.2 m-85 -120.76 140.38 51.77 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.221 -0.924 . . . . 0.0 110.016 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -158.02 165.38 35.24 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.949 -1.095 . . . . 0.0 110.068 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.698 HG11 ' HG3' ' A' ' 31' ' ' GLU . 5.6 t -103.12 154.18 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.896 -1.127 . . . . 0.0 109.468 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.727 HD21 ' CB ' ' A' ' 43' ' ' ALA . 3.7 mt -105.72 -38.61 6.34 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.21 -0.931 . . . . 0.0 109.823 -179.526 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 -142.34 117.09 9.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.293 -0.879 . . . . 0.0 110.026 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.698 ' HG3' HG11 ' A' ' 28' ' ' VAL . 2.8 mt-10 -118.05 97.12 5.65 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.558 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.92 -168.83 2.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.302 -0.874 . . . . 0.0 110.832 -178.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.3 140.69 27.78 Favored Glycine 0 N--CA 1.498 2.831 0 O-C-N 120.977 -1.077 . . . . 0.0 110.526 -179.211 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -70.56 -27.93 22.04 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 122.724 2.283 . . . . 0.0 110.744 179.529 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.07 20.1 9.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.245 -0.91 . . . . 0.0 109.521 178.573 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.01 -49.68 0.51 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.93 -1.106 . . . . 0.0 110.245 -179.387 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 mtt -141.09 87.89 2.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.986 -1.071 . . . . 0.0 109.918 -179.128 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -69.49 68.13 0.23 Allowed 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.132 -0.98 . . . . 0.0 110.793 -179.699 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -142.65 114.64 8.21 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.948 -1.095 . . . . 0.0 109.129 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.24 103.29 11.19 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.163 -0.961 . . . . 0.0 110.462 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.9 mm -75.05 100.51 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.188 -0.945 . . . . 0.0 108.632 179.327 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 53.6 m -99.14 127.81 45.16 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.237 -0.914 . . . . 0.0 110.003 -179.158 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.727 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -108.76 149.89 28.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.434 -0.791 . . . . 0.0 109.531 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.404 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 28.5 p -137.69 155.23 49.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 0.0 110.056 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.698 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.9 tt -133.06 133.58 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.53 -0.731 . . . . 0.0 109.167 179.45 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 23' ' ' THR . 72.2 t -131.07 102.18 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.205 -0.934 . . . . 0.0 109.359 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . 55.92 58.88 11.94 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -179.862 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 t 81.53 -32.36 0.1 Allowed 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.603 -0.94 . . . . 0.0 111.744 179.44 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.627 HD13 ' CD2' ' A' ' 73' ' ' LEU . 6.5 mt -71.54 135.11 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.631 -1.293 . . . . 0.0 109.83 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.507 HG22 HG13 ' A' ' 45' ' ' ILE . 1.6 t -122.34 150.13 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.217 -0.927 . . . . 0.0 109.973 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.498 ' OG1' ' HG3' ' A' ' 69' ' ' MET . 3.3 m -160.41 146.87 15.51 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.333 -0.855 . . . . 0.0 109.354 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -109.26 163.21 13.58 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.115 -0.991 . . . . 0.0 110.861 -179.04 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.681 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -135.84 107.1 0.6 Allowed Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 -179.636 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 17.7 pm0 -70.86 67.57 0.4 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.926 0.87 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.648 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -82.71 128.84 8.7 Favored Glycine 0 N--CA 1.5 2.948 0 O-C-N 120.162 -1.586 . . . . 0.0 112.223 -178.658 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.54 56.79 1.04 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.336 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.42 166.71 39.51 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 120.912 -1.117 . . . . 0.0 110.774 -179.083 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 107.67 0.29 Allowed 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.671 -0.899 . . . . 0.0 111.474 -179.631 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt 63.29 12.85 6.51 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.564 -0.71 . . . . 0.0 111.546 179.267 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.488 HG13 ' CA ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -74.21 -35.82 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 120.782 -1.199 . . . . 0.0 110.102 179.845 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.648 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 24.5 p -55.88 -60.72 3.06 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.623 -0.673 . . . . 0.0 110.621 -179.594 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.509 ' HE2' ' OG ' ' A' ' 8' ' ' SER . 49.8 mttt -49.58 -39.92 36.84 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.542 -0.724 . . . . 0.0 109.987 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.615 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 9.3 mmtt -71.53 -63.67 1.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.195 -0.941 . . . . 0.0 108.94 179.095 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -48.58 -38.71 21.44 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.197 -0.939 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.681 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -67.73 -47.74 68.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.059 -1.026 . . . . 0.0 109.642 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.553 ' HB1' ' CG2' ' A' ' 13' ' ' VAL . . . -66.62 -46.54 75.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.443 -0.786 . . . . 0.0 110.636 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 11.9 mm-40 -53.78 -41.92 67.75 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.225 -0.922 . . . . 0.0 109.45 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' HG12 ' A' ' 71' ' ' VAL . 1.2 mtmt -62.73 -58.0 9.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.612 -0.68 . . . . 0.0 109.362 179.209 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.498 ' HG3' ' OG1' ' A' ' 51' ' ' THR . 3.3 ttm -58.47 -40.27 82.2 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.246 -0.909 . . . . 0.0 110.73 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.86 HD21 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -65.32 -55.21 19.52 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.971 -1.081 . . . . 0.0 110.578 -179.32 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 68' ' ' LYS . 7.7 p -56.98 -32.65 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.141 -0.974 . . . . 0.0 109.978 -179.85 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.43 -47.2 16.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.76 -1.212 . . . . 0.0 109.547 179.172 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.627 ' CD2' HD13 ' A' ' 49' ' ' ILE . 54.0 mt -59.35 -36.74 76.29 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.096 -1.002 . . . . 0.0 110.307 179.414 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.56 -18.19 57.15 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.22 -0.925 . . . . 0.0 109.897 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.08 -19.76 15.65 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.293 -0.879 . . . . 0.0 109.949 179.767 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 CA--C 1.554 1.122 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.916 -179.567 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.78 0 C5'-C4'-C3' 111.318 -2.788 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.996 0 C5'-C4'-C3' 110.994 -3.004 . 0.037 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.91 0 C5'-C4'-C3' 111.197 -2.869 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C5'-C4'-C3' 111.56 -2.627 . 0.225 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.042 0 C5'-C4'-C3' 110.839 -3.107 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.871 0 C5'-C4'-C3' 111.231 -2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.423 ' H6 ' " O5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.046 0 O4'-C1'-N19 111.113 2.913 . 0.144 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.512 ' O4 ' ' N6 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.188 0 O4'-C1'-N19 111.056 2.856 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.892 0 C5'-C4'-C3' 111.272 -2.819 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.482 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.989 0 O4'-C1'-N19 111.052 2.852 . 0.207 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.676 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.296 0 C5'-C4'-C3' 111.304 -2.798 . 0.012 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.866 " H2'" " O4'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.231 0 O4'-C1'-N19 111.116 2.916 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.866 " O4'" " H2'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 C3'-C2'-C1' 103.944 2.716 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.572 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.74 0 O4'-C1'-N19 112.001 3.801 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C3'-C2'-C1' 104.53 3.367 . 0.152 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.572 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.279 0 C5'-C4'-C3' 111.151 -2.899 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.76 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.856 0 O4'-C1'-N19 111.302 3.102 . 0.0 OUTLIER '7D dist 6j' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.027 0 C5'-C4'-C3' 111.336 -2.776 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.445 ' N2 ' ' C4 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.828 0 C5'-C4'-C3' 111.234 -2.844 . 0.403 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.482 ' OP1' ' HA ' ' A' ' 7' ' ' LYS . . . . . . . . 0 O4'--C1' 1.436 1.856 0 C5'-C4'-C3' 110.909 -3.061 . 0.224 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.407 ' C8 ' " H2'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.966 0 C5'-C4'-C3' 111.341 -2.773 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.985 0 C5'-C4'-C3' 111.093 -2.938 . 0.27 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.512 ' N6 ' ' O4 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C3'-C2'-C1' 104.119 2.91 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . 0.704 " O2'" ' C5 ' ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.299 2 C1'-O4'-C4' 103.368 -6.924 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 026 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.704 ' C5 ' " O2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.948 3 O3'-P-O5' 92.369 -6.122 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 026 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.083 0 C5'-C4'-C3' 111.201 -2.866 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.172 0 C5'-C4'-C3' 111.273 -2.818 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.938 0 C5'-C4'-C3' 111.202 -2.865 . 0.012 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.465 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.852 0 C5'-C4'-C3' 110.983 -3.011 . 0.178 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.84 0 O4'-C1'-N19 111.053 2.853 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.01 178.35 6.05 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 -178.705 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.86 -156.09 0.63 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.101 -0.999 . . . . 0.0 109.927 -179.789 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.534 ' O ' ' HE3' ' A' ' 6' ' ' LYS . . . 84.52 3.81 88.16 Favored Glycine 0 N--CA 1.499 2.865 0 O-C-N 120.899 -1.125 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.407 ' OD2' ' NZ ' ' A' ' 7' ' ' LYS . 16.4 t70 -74.46 157.94 34.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.147 -1.207 . . . . 0.0 110.089 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.534 ' HE3' ' O ' ' A' ' 4' ' ' GLY . 4.9 mttt -140.27 107.37 5.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.208 -0.933 . . . . 0.0 109.05 179.603 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 2.2 mttp -145.41 -171.3 3.64 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.335 -0.853 . . . . 0.0 109.969 -179.44 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.559 ' OG ' ' HD2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -120.41 152.05 54.56 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.104 -0.997 . . . . 0.0 109.912 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.559 ' HD2' ' OG ' ' A' ' 8' ' ' SER . 32.6 Cg_endo -72.57 -29.63 13.02 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.538 2.159 . . . . 0.0 111.254 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.443 ' O ' HG12 ' A' ' 13' ' ' VAL . 49.2 mm -57.04 -52.07 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.069 -1.019 . . . . 0.0 109.614 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -43.36 63.09 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.962 -1.086 . . . . 0.0 109.642 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.92 -44.19 93.66 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.253 -0.905 . . . . 0.0 110.774 -179.606 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.659 HG13 HG11 ' A' ' 24' ' ' VAL . 2.3 p -61.0 -45.76 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 120.754 -1.216 . . . . 0.0 108.731 179.084 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.492 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 13.2 m80 -62.47 -40.26 96.08 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.45 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -56.97 15.27 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.571 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.4 mt -53.47 -43.79 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.46 -0.775 . . . . 0.0 109.61 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.59 -46.02 91.32 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.44 HG21 ' C8 ' ' B' ' 17' ' ' ' G' . 44.2 mt -70.17 -43.3 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.612 -0.934 . . . . 0.0 110.117 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -26.01 67.72 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.137 -0.977 . . . . 0.0 110.051 179.688 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 6.5 mmt180 -100.39 -71.03 0.72 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.187 -0.945 . . . . 0.0 110.08 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.53 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 168.26 -32.64 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.517 -0.74 . . . . 0.0 110.446 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.51 ' HG3' ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -59.43 124.12 19.01 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.229 -0.919 . . . . 0.0 111.099 -178.868 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.38 129.65 37.71 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.216 -0.928 . . . . 0.0 109.491 179.281 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.659 HG11 HG13 ' A' ' 13' ' ' VAL . 89.3 t -98.68 114.44 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.403 -0.811 . . . . 0.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.692 ' HB2' HG22 ' A' ' 45' ' ' ILE . 12.1 m-70 -129.83 126.55 38.31 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.073 -1.017 . . . . 0.0 110.401 -179.493 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.618 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 57.7 m-85 -105.37 140.99 37.64 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.439 -0.788 . . . . 0.0 110.025 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -147.61 132.13 17.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.152 -0.968 . . . . 0.0 109.833 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.63 HG11 ' CG ' ' A' ' 31' ' ' GLU . 35.8 t -95.61 149.45 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.141 -0.974 . . . . 0.0 109.214 179.644 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -100.79 -51.5 3.55 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.061 -1.024 . . . . 0.0 110.01 -179.473 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -148.81 132.89 17.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.298 -0.876 . . . . 0.0 109.983 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.63 ' CG ' HG11 ' A' ' 28' ' ' VAL . 18.2 mt-10 -125.48 112.09 15.84 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.599 -0.688 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 49.86 -124.98 2.12 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.291 -0.881 . . . . 0.0 110.176 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.99 -80.35 0.3 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.642 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.558 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 36.6 Cg_endo -81.04 -79.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.222 0 C-N-CA 122.434 2.089 . . . . 0.0 110.662 179.833 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 169.38 52.58 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.541 -0.724 . . . . 0.0 109.564 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -174.08 34.74 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.057 -1.027 . . . . 0.0 110.439 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mtt -154.23 62.48 0.7 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.166 -0.959 . . . . 0.0 108.745 179.8 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HE2' " H4'" ' B' ' 3' ' ' ' A' . 33.9 mttt -68.6 71.62 0.21 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.464 -0.772 . . . . 0.0 110.395 -179.103 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -135.06 104.42 5.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.257 -0.902 . . . . 0.0 109.047 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.531 ' CE2' ' HB3' ' A' ' 31' ' ' GLU . 39.9 m-85 -91.69 103.88 16.41 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.096 -1.002 . . . . 0.0 109.893 -179.398 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 2.1 mp -90.55 92.06 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.119 -0.988 . . . . 0.0 109.926 -179.809 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.1 m -93.51 122.01 35.5 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.223 -0.923 . . . . 0.0 109.664 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -97.31 159.99 14.59 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.257 -0.902 . . . . 0.0 109.491 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.618 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -143.51 147.06 33.92 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.098 -1.001 . . . . 0.0 110.526 -179.731 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.692 HG22 ' HB2' ' A' ' 25' ' ' HIS . 16.4 tt -122.75 145.28 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.035 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.673 HG11 HD11 ' A' ' 73' ' ' LEU . 13.5 p -140.96 100.99 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 121.855 0.836 . . . . 0.0 109.717 -179.58 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.51 ' HA3' ' HG3' ' A' ' 22' ' ' MET . . . 62.86 -99.78 0.29 Allowed Glycine 0 N--CA 1.502 3.037 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.648 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.9 p -117.17 15.49 14.96 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.33 -1.1 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.401 ' HB ' ' CG1' ' A' ' 46' ' ' VAL . 48.5 mm -121.51 145.24 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.017 -1.052 . . . . 0.0 109.501 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.486 HG22 HG13 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -132.45 143.67 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.076 -1.015 . . . . 0.0 109.275 179.604 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -145.25 140.49 27.88 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.639 -0.663 . . . . 0.0 110.056 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.5 pm0 -99.04 144.14 28.52 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.968 -1.082 . . . . 0.0 110.065 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -119.96 80.58 0.33 Allowed Glycine 0 N--CA 1.497 2.745 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -179.44 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.483 ' HG3' ' NH1' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -65.35 66.99 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 CA-C-O 121.714 0.768 . . . . 0.0 110.864 179.891 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.546 ' HA3' ' CA ' ' A' ' 61' ' ' SER . . . -73.06 135.77 21.76 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 120.409 -1.432 . . . . 0.0 110.788 -179.636 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -82.4 -58.67 2.83 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.381 -1.07 . . . . 0.0 110.254 179.611 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.35 -29.34 0.16 Allowed Glycine 0 N--CA 1.504 3.225 0 O-C-N 120.963 -1.085 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' O ' HG23 ' A' ' 60' ' ' VAL . 75.7 tttt -69.56 70.14 0.28 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.018 -1.283 . . . . 0.0 109.559 179.736 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.06 18.89 10.54 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.393 -0.817 . . . . 0.0 109.715 -178.852 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.562 ' O ' ' CB ' ' A' ' 61' ' ' SER . 2.6 t -115.23 157.02 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.297 -0.877 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 3.5 t 94.0 120.13 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.258 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 61' ' ' SER . 2.8 ttpp 81.41 -59.09 0.24 Allowed 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 -177.005 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.547 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 19.9 tttm -69.98 -66.23 0.62 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.12 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.543 ' HD3' ' CG1' ' A' ' 60' ' ' VAL . 18.1 ttt180 -46.94 -39.2 11.87 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.468 -0.77 . . . . 0.0 109.927 178.625 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.32 -50.33 73.27 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.365 -0.834 . . . . 0.0 109.686 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.37 -48.02 37.54 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.222 -0.923 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.549 ' HG2' ' HG3' ' A' ' 9' ' ' PRO . 3.1 mt-10 -53.56 -41.58 66.65 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.28 -0.888 . . . . 0.0 109.244 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.532 ' HE3' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -62.28 -54.86 34.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.464 -0.772 . . . . 0.0 109.808 179.544 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.516 ' HA ' ' CG ' ' A' ' 72' ' ' GLU . 1.9 ttt -59.21 -39.5 82.88 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.429 -0.794 . . . . 0.0 110.261 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.655 ' CD2' HG23 ' A' ' 13' ' ' VAL . 20.0 mt -57.93 -44.16 86.73 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.134 -0.979 . . . . 0.0 110.962 -179.646 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.532 ' CG2' ' HE3' ' A' ' 68' ' ' LYS . 30.6 m -73.33 -41.67 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.762 -1.211 . . . . 0.0 110.97 -179.264 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.516 ' CG ' ' HA ' ' A' ' 69' ' ' MET . 5.5 pt-20 -68.14 -46.16 71.59 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.72 -1.237 . . . . 0.0 109.628 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.673 HD11 HG11 ' A' ' 46' ' ' VAL . 55.1 mt -59.32 -36.26 75.31 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.093 -1.004 . . . . 0.0 109.375 178.826 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -79.65 0.38 30.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.229 -0.919 . . . . 0.0 110.32 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -113.78 -7.4 13.25 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.899 -1.125 . . . . 0.0 111.153 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 N--CA 1.493 1.701 0 O-C-N 120.901 -1.124 . . . . 0.0 110.125 -179.386 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.545 " H5'" ' OP1' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O4'-C1'-N19 111.222 3.022 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.545 ' OP1' " H5'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.931 0 C5'-C4'-C3' 110.835 -3.11 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.441 " H4'" ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.036 2.836 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.438 " H2'" ' C8 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.053 0 O4'-C1'-N19 111.121 2.921 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.438 ' C8 ' " H2'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.986 0 O4'-C1'-N19 111.069 2.869 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C5'-C4'-C3' 111.188 -2.875 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.021 0 C5'-C4'-C3' 111.24 -2.84 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.095 0 C5'-C4'-C3' 111.084 -2.944 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 0 C5'-C4'-C3' 111.454 -2.697 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.093 0 C5'-C4'-C3' 111.305 -2.797 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.575 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.003 0 O4'-C1'-N19 110.985 2.785 . 0.016 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.61 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.173 0 O4'-C1'-N19 111.133 2.933 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.598 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.179 0 O4'-C1'-N19 111.059 2.859 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.738 HO2' ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.28 0 C3'-C2'-C1' 104.599 3.444 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.565 " O5'" ' H6 ' ' B' ' 15' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.286 0 C5'-C4'-C3' 111.378 -2.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.738 ' H5 ' HO2' ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.159 0 C5'-C4'-C3' 111.321 -2.786 . 0.447 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.872 ' N3 ' " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.175 0 C5'-C4'-C3' 110.91 -3.06 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.456 " O4'" ' N2 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.025 0 C5'-C4'-C3' 111.457 -2.695 . 0.01 1f . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.432 ' H21' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.037 0 C5'-C4'-C3' 110.937 -3.042 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.432 " H1'" ' H21' ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.86 0 C5'-C4'-C3' 110.837 -3.109 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.871 0 O4'-C1'-N19 111.136 2.936 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.586 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.918 0 O4'-C1'-N19 111.015 2.815 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.409 ' N3 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.075 0 C5'-C4'-C3' 111.339 -2.774 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.071 0 C5'-C4'-C3' 111.225 -2.85 . 0.206 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.937 0 C5'-C4'-C3' 111.232 -2.845 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.053 0 C5'-C4'-C3' 110.934 -3.044 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.811 0 C5'-C4'-C3' 111.126 -2.916 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.542 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.931 0 C5'-C4'-C3' 111.356 -2.763 . 0.054 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.61 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.069 0 C5'-C4'-C3' 111.256 -2.829 . 0.17 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.449 ' N3 ' ' N1 ' ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.012 0 C5'-C4'-C3' 111.194 -2.871 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -125.34 51.62 1.68 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.893 0.854 . . . . 0.0 109.904 -178.582 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -97.17 95.2 7.58 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.894 -1.129 . . . . 0.0 109.731 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' O ' ' HD2' ' A' ' 6' ' ' LYS . . . -167.67 -81.09 0.05 OUTLIER Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.593 -1.289 . . . . 0.0 111.454 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.563 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 26.9 t0 62.12 57.26 2.07 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.506 -0.997 . . . . 0.0 109.765 -178.867 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.563 ' NZ ' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -150.5 -68.48 0.19 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.671 -1.268 . . . . 0.0 109.572 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -67.28 89.4 0.2 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.266 -0.897 . . . . 0.0 109.383 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.627 ' CB ' ' HB2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -102.81 144.62 28.98 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 121.391 -0.818 . . . . 0.0 110.534 -179.155 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -78.78 -59.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.816 2.344 . . . . 0.0 111.802 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mt -136.84 -46.3 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 120.776 -1.203 . . . . 0.0 111.119 -178.806 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.6 p -44.95 -73.4 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.284 -0.885 . . . . 0.0 111.482 -178.875 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.627 ' HB2' ' CB ' ' A' ' 8' ' ' SER . 0.4 OUTLIER -58.11 -30.05 65.97 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.939 -1.101 . . . . 0.0 110.338 -179.266 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.019 HG22 HD21 ' A' ' 70' ' ' LEU . 75.4 t -60.75 -41.8 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.62 -1.3 . . . . 0.0 107.817 177.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -65.66 -34.43 78.2 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.599 ' OE2' " H4'" ' B' ' 15' ' ' ' U' . 1.9 tm-20 -51.01 -51.12 56.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.614 -0.679 . . . . 0.0 109.217 178.661 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.638 HD13 HD13 ' A' ' 73' ' ' LEU . 14.5 tt -78.88 -38.4 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 120.927 -1.108 . . . . 0.0 110.3 179.493 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.66 -49.37 74.42 Favored Glycine 0 N--CA 1.504 3.231 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.843 HG22 ' O ' ' A' ' 18' ' ' ILE . 2.9 mp -81.66 39.99 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.302 -1.116 . . . . 0.0 109.185 179.221 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.592 ' HE2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -144.85 -46.53 0.24 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.455 -1.403 . . . . 0.0 109.808 -179.547 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -98.92 35.15 1.93 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.119 -0.988 . . . . 0.0 110.12 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 50.06 39.73 19.84 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.174 -0.954 . . . . 0.0 109.851 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.733 ' HB3' HG22 ' A' ' 46' ' ' VAL . 15.6 mtt -106.31 108.86 20.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.955 -1.091 . . . . 0.0 110.259 -179.35 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.443 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -70.17 86.85 0.57 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.254 -0.904 . . . . 0.0 109.362 179.524 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.013 HG22 HG23 ' A' ' 46' ' ' VAL . 93.0 t -79.27 112.35 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.717 -0.614 . . . . 0.0 109.797 -179.53 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.773 ' HB2' HG22 ' A' ' 45' ' ' ILE . 8.5 m-70 -128.85 151.01 50.09 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.944 -1.098 . . . . 0.0 109.881 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' CB ' ' A' ' 44' ' ' CYS . 78.7 m-85 -130.41 135.98 48.58 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.344 -0.847 . . . . 0.0 110.133 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 12.5 tmtt? -154.22 126.71 8.01 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.135 -0.978 . . . . 0.0 110.124 179.777 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.773 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 46.0 t -76.07 135.29 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.97 -1.081 . . . . 0.0 109.439 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.748 HD21 ' HB2' ' A' ' 43' ' ' ALA . 7.5 mt -73.75 -60.97 2.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.02 -1.05 . . . . 0.0 109.603 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.98 153.37 3.8 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.451 0.643 . . . . 0.0 110.39 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 10.5 mp0 -104.92 143.91 32.51 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -73.06 63.26 0.67 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.94 -1.1 . . . . 0.0 110.3 -179.388 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' HG2' ' A' ' 37' ' ' MET . . . 104.19 169.77 24.98 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.561 ' O ' " H4'" ' B' ' 4' ' ' ' C' . 36.3 Cg_endo -78.7 -28.83 3.94 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.358 2.039 . . . . 0.0 111.209 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.544 ' HA ' " H4'" ' B' ' 4' ' ' ' C' . . . -150.9 170.32 19.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.105 -0.997 . . . . 0.0 109.941 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 66.05 12.46 8.48 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.503 -0.748 . . . . 0.0 110.582 -179.656 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -99.7 -39.91 8.02 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.864 -1.148 . . . . 0.0 109.817 179.639 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.5 36.87 3.83 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.507 -0.745 . . . . 0.0 111.418 179.399 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 56' ' ' ASN . 13.4 p30 -151.35 144.17 24.45 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.17 -0.956 . . . . 0.0 108.939 178.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -142.98 108.97 5.18 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.168 -0.957 . . . . 0.0 110.5 -178.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.692 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 3.0 mp -77.99 98.11 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.001 -1.062 . . . . 0.0 109.575 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.773 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 57.9 m -102.54 128.16 49.3 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.175 -0.953 . . . . 0.0 109.738 -179.883 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.748 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -100.73 149.36 23.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.128 -0.983 . . . . 0.0 109.656 179.479 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.588 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 31.3 p -132.71 140.81 48.27 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.829 ' HA ' HG11 ' A' ' 50' ' ' VAL . 16.6 tt -126.34 136.6 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-O 121.071 0.462 . . . . 0.0 110.3 -179.26 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.013 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -135.56 148.05 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.223 -0.923 . . . . 0.0 109.616 179.78 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . -42.77 126.51 4.74 Favored Glycine 0 N--CA 1.502 3.039 0 O-C-N 121.206 -0.934 . . . . 0.0 110.867 -179.36 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 11.8 p 97.49 -56.21 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 122.811 0.444 . . . . 0.0 111.402 179.599 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.682 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -163.29 -170.47 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 120.664 -1.273 . . . . 0.0 109.983 -179.425 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.829 HG11 ' HA ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER 172.37 -162.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.161 -0.962 . . . . 0.0 111.474 179.368 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.782 ' N ' HG13 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -168.92 -176.44 2.66 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.455 -0.778 . . . . 0.0 109.737 -179.929 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.586 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.7 mp0 -114.53 -176.93 3.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.01 -1.056 . . . . 0.0 110.066 -179.496 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.84 105.24 0.27 Allowed Glycine 0 N--CA 1.497 2.754 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.572 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.692 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 1.3 pm0 -84.13 52.46 2.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.44 -1.035 . . . . 0.0 110.098 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.68 ' HA3' ' HB ' ' A' ' 60' ' ' VAL . . . -47.12 125.19 9.48 Favored Glycine 0 N--CA 1.503 3.12 0 O-C-N 121.021 -1.05 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -128.44 37.74 4.08 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.377 -1.072 . . . . 0.0 110.45 -179.588 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.621 ' H ' HG21 ' A' ' 60' ' ' VAL . . . -125.88 -111.15 1.78 Allowed Glycine 0 N--CA 1.501 2.967 0 O-C-N 120.723 -1.235 . . . . 0.0 110.636 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -128.51 140.95 51.54 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.307 -1.114 . . . . 0.0 109.192 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 tptt 51.64 37.16 19.21 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.332 -0.855 . . . . 0.0 109.062 -178.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.68 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 18.5 m -104.36 142.87 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.315 -0.866 . . . . 0.0 110.714 -179.035 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.549 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 59.2 p 151.92 -90.91 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.292 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -66.58 -49.58 65.9 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.644 ' HE2' ' OE2' ' A' ' 67' ' ' GLU . 30.3 tttt -57.7 -38.18 74.78 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.348 -0.845 . . . . 0.0 110.289 179.284 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -52.92 27.32 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.921 -1.112 . . . . 0.0 109.494 179.694 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.91 94.4 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 109.255 179.488 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.34 65.86 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.322 -0.861 . . . . 0.0 110.038 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.644 ' OE2' ' HE2' ' A' ' 63' ' ' LYS . 5.2 mt-10 -56.16 -39.28 72.09 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.165 -0.959 . . . . 0.0 109.223 179.111 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.694 ' HE2' ' OG1' ' A' ' 51' ' ' THR . 1.9 tptt -63.45 -43.61 96.9 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.709 ' HG2' HD23 ' A' ' 73' ' ' LEU . 22.2 ttm -67.67 -50.68 56.54 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.274 -0.891 . . . . 0.0 109.32 178.474 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.019 HD21 HG22 ' A' ' 13' ' ' VAL . 90.0 mt -51.18 -49.35 61.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.363 -0.836 . . . . 0.0 110.104 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 68' ' ' LYS . 5.7 p -67.55 -34.75 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.913 -1.117 . . . . 0.0 109.408 179.516 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.412 ' OE2' ' HE2' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -62.81 -48.87 77.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.481 -0.762 . . . . 0.0 109.624 179.368 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.709 HD23 ' HG2' ' A' ' 69' ' ' MET . 1.2 pp -79.56 -28.99 41.17 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.056 -1.028 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -75.27 4.79 6.45 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.748 -1.22 . . . . 0.0 110.381 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.29 -3.47 15.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.887 -1.133 . . . . 0.0 110.589 179.754 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.166 -179.878 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.007 0 O4'-C1'-N19 111.049 2.849 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.454 ' C6 ' ' N7 ' ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 1.972 0 O4'-C1'-N19 111.08 2.88 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.454 ' N7 ' ' C6 ' ' B' ' 2' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.105 0 C5'-C4'-C3' 110.782 -3.145 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.561 " H4'" ' O ' ' A' ' 34' ' ' PRO . . . . . . . . 0 O4'--C1' 1.442 2.346 0 O4'-C1'-N19 110.959 2.759 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.861 0 C5'-C4'-C3' 111.115 -2.923 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.949 0 C5'-C4'-C3' 111.05 -2.967 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.931 0 C5'-C4'-C3' 111.098 -2.934 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.033 0 C5'-C4'-C3' 111.251 -2.833 . 0.157 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.097 0 C5'-C4'-C3' 111.183 -2.878 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.032 0 C5'-C4'-C3' 111.31 -2.794 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.002 0 C5'-C4'-C3' 111.066 -2.956 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.419 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.034 0 C5'-C4'-C3' 111.206 -2.862 . 0.104 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.534 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.153 0 C5'-C4'-C3' 111.237 -2.842 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.426 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C3'-C2'-C1' 104.53 3.366 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.599 " H4'" ' OE2' ' A' ' 15' ' ' GLU . . . . . . . . 0 O4'--C4' 1.43 -1.957 0 C5'-C4'-C3' 111.263 -2.824 . 0.058 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.524 " H4'" " O5'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.794 0 O4'-C1'-N19 111.306 3.106 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.793 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.202 0 O4'-C1'-N19 111.321 3.121 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.793 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.095 0 C5'-C4'-C3' 111.421 -2.719 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.412 ' H21' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.128 0 C5'-C4'-C3' 110.813 -3.125 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.412 " H1'" ' H21' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.937 0 C5'-C4'-C3' 111.117 -2.922 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.921 0 C5'-C4'-C3' 111.228 -2.848 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.079 0 C5'-C4'-C3' 111.094 -2.937 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.032 0 C5'-C4'-C3' 111.343 -2.771 . 0.027 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.916 0 C5'-C4'-C3' 111.22 -2.853 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C5'-C4'-C3' 111.125 -2.917 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.03 0 C5'-C4'-C3' 111.09 -2.94 . 0.32 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.424 " H2'" ' C6 ' ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.111 0 O4'-C1'-N19 110.874 2.674 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.431 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.975 0 C5'-C4'-C3' 111.171 -2.886 . 0.33 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 C5'-C4'-C3' 110.998 -3.001 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.054 2.854 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -131.97 -167.99 1.96 Allowed 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.644 -176.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -75.6 142.13 42.73 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.215 -0.928 . . . . 0.0 110.153 -179.476 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.488 ' O ' ' HE3' ' A' ' 6' ' ' LYS . . . 173.19 174.81 40.52 Favored Glycine 0 N--CA 1.498 2.824 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.465 ' O ' ' HE2' ' A' ' 6' ' ' LYS . 38.8 t70 -70.33 174.62 5.43 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.911 -0.758 . . . . 0.0 110.5 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.488 ' HE3' ' O ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -140.53 119.6 12.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.07 -1.019 . . . . 0.0 109.256 179.715 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HE3' " H4'" ' B' ' 13' ' ' ' C' . 1.3 mptp? -59.78 143.18 51.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.145 -0.972 . . . . 0.0 110.275 -179.411 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.86 139.68 66.37 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.241 -0.912 . . . . 0.0 109.758 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.455 ' O ' ' HB ' ' A' ' 13' ' ' VAL . 33.1 Cg_endo -72.73 -28.23 14.08 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.318 2.012 . . . . 0.0 110.619 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.68 -42.32 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.396 -0.815 . . . . 0.0 109.01 179.025 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.49 -62.16 1.58 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.323 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.492 ' HA ' ' CD ' ' A' ' 15' ' ' GLU . 24.3 mt-30 -50.6 -40.94 54.02 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.388 -0.82 . . . . 0.0 111.253 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.707 HG21 ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -66.4 -40.31 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 120.539 -1.351 . . . . 0.0 109.128 179.721 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.485 ' O ' ' HB ' ' A' ' 18' ' ' ILE . 10.6 m-70 -73.69 -28.93 61.99 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.76 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 4.1 mt-10 -55.25 -52.39 63.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.475 -0.765 . . . . 0.0 109.395 178.762 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -100.91 -34.94 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.193 -0.942 . . . . 0.0 110.128 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.587 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -64.33 -36.48 93.25 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 178.929 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.629 HG22 ' N ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -99.99 -61.5 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.306 -1.114 . . . . 0.0 108.193 178.664 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.629 ' N ' HG22 ' A' ' 18' ' ' ILE . 4.3 ttmt 35.62 -94.75 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.019 0.438 . . . . 0.0 110.332 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ILE . 2.4 ppt_? -164.43 27.44 0.07 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.109 -0.995 . . . . 0.0 109.709 178.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.14 -3.9 0.42 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.994 -1.066 . . . . 0.0 111.72 -179.348 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 3.1 mmt -133.9 140.48 46.84 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.848 -1.158 . . . . 0.0 109.208 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.404 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -93.26 82.53 4.52 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.865 -1.147 . . . . 0.0 110.904 -178.878 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.834 HG22 HG12 ' A' ' 46' ' ' VAL . 41.4 t -94.97 108.07 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.732 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -134.85 145.07 47.95 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.943 -1.098 . . . . 0.0 111.2 -178.766 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.495 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 72.6 m-85 -122.84 112.81 18.33 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -123.84 136.77 54.59 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.399 -0.813 . . . . 0.0 109.886 -179.446 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.548 ' HB ' ' HB2' ' A' ' 32' ' ' GLU . 44.1 t -85.47 156.67 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.904 -1.122 . . . . 0.0 109.688 179.564 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 43' ' ' ALA . 7.3 mt -99.81 -38.52 8.63 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.016 -1.053 . . . . 0.0 109.587 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -108.72 142.84 38.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.504 -0.748 . . . . 0.0 110.333 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 16.2 tp10 61.32 -103.5 0.15 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.543 -0.723 . . . . 0.0 110.918 179.149 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.548 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 39.0 tt0 70.38 163.06 0.25 Allowed 'General case' 0 N--CA 1.507 2.399 0 O-C-N 121.145 -0.972 . . . . 0.0 110.326 -179.639 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . . . 133.65 -172.57 21.55 Favored Glycine 0 N--CA 1.499 2.857 0 O-C-N 120.751 -1.218 . . . . 0.0 110.398 179.486 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . 32.9 Cg_endo -75.87 -76.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.241 1.961 . . . . 0.0 110.199 179.758 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -96.57 3.75 52.41 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.355 -0.84 . . . . 0.0 110.362 179.208 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.528 ' O ' ' C ' ' A' ' 37' ' ' MET . 1.9 m-70 -71.56 64.16 0.43 Allowed 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.939 -1.101 . . . . 0.0 110.696 -179.722 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.528 ' C ' ' O ' ' A' ' 36' ' ' HIS . 60.7 mtp 22.0 69.85 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 121.267 0.556 . . . . 0.0 111.829 179.34 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' NZ ' ' O ' ' A' ' 34' ' ' PRO . 12.7 mtmm -48.55 121.71 4.79 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.227 -0.921 . . . . 0.0 110.344 -179.874 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.643 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 30.0 p30 -175.05 -173.49 0.69 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.773 -0.58 . . . . 0.0 110.532 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' O ' ' C ' ' A' ' 41' ' ' ILE . 24.3 m-85 80.51 137.04 0.06 Allowed 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.884 -0.51 . . . . 0.0 110.051 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.564 ' C ' ' O ' ' A' ' 40' ' ' PHE . 93.7 mt -16.76 107.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.682 0 CA-C-O 121.355 0.598 . . . . 0.0 111.306 179.746 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.783 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -95.26 135.92 36.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.506 -0.746 . . . . 0.0 109.082 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.786 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -94.2 126.4 39.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.842 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.495 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 20.7 p -121.56 147.52 45.7 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.826 -1.172 . . . . 0.0 110.373 -179.615 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.578 ' HB ' HG13 ' A' ' 50' ' ' VAL . 19.2 tt -134.9 145.41 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.511 -0.743 . . . . 0.0 109.868 -179.805 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.834 HG12 HG22 ' A' ' 24' ' ' VAL . 15.6 m -140.9 97.63 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.486 -0.759 . . . . 0.0 109.821 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 68.55 -95.86 0.4 Allowed Glycine 0 N--CA 1.502 3.041 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -119.38 14.2 12.84 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.4 -1.059 . . . . 0.0 110.841 -179.709 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.432 ' HB ' HG23 ' A' ' 46' ' ' VAL . 98.5 mt -119.87 134.7 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.881 -1.137 . . . . 0.0 109.639 179.844 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.578 HG13 ' HB ' ' A' ' 45' ' ' ILE . 0.4 OUTLIER -129.58 143.02 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.148 -0.97 . . . . 0.0 109.486 179.766 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.58 139.26 18.82 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.518 -0.738 . . . . 0.0 109.397 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 22.4 mt-10 -115.79 149.9 37.79 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.855 -1.153 . . . . 0.0 110.254 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . 156.75 160.34 10.02 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.719 ' CD ' ' HA ' ' A' ' 61' ' ' SER . 2.8 tt0 173.75 -107.83 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.381 -1.07 . . . . 0.0 109.758 -179.508 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.85 -157.23 12.48 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.479 ' HB3' ' HD1' ' A' ' 40' ' ' PHE . 0.3 OUTLIER 171.78 104.19 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.382 -1.069 . . . . 0.0 109.841 179.661 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.8 -23.95 0.92 Allowed Glycine 0 N--CA 1.498 2.82 0 C-N-CA 119.385 -1.388 . . . . 0.0 111.171 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.27 -163.52 1.53 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.806 -1.408 . . . . 0.0 109.213 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -74.37 66.04 1.29 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.79 -1.194 . . . . 0.0 109.227 179.742 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.588 HG23 ' HB2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -124.37 142.56 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.48 -0.762 . . . . 0.0 110.114 -179.479 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.719 ' HA ' ' CD ' ' A' ' 54' ' ' GLU . 57.3 p 162.85 -91.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.792 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -22.71 13.82 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.11 -0.994 . . . . 0.0 109.774 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -88.5 -63.21 1.33 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.396 -0.815 . . . . 0.0 109.748 179.267 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.588 ' HB2' HG23 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -51.27 -57.58 8.47 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.619 -0.676 . . . . 0.0 112.153 -178.554 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.783 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -53.81 -38.77 64.89 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.793 -1.192 . . . . 0.0 109.126 -179.745 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.69 77.07 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.269 -0.894 . . . . 0.0 109.558 178.848 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -48.74 -48.36 40.77 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.389 -0.819 . . . . 0.0 109.108 179.166 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.449 ' O ' HG12 ' A' ' 71' ' ' VAL . 6.7 tmtt? -63.94 -46.47 84.59 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.712 -0.617 . . . . 0.0 109.96 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.538 ' HE1' HG22 ' A' ' 46' ' ' VAL . 2.7 mmt -62.84 -58.38 7.6 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.005 -1.059 . . . . 0.0 109.663 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.707 ' CD2' HG21 ' A' ' 13' ' ' VAL . 1.8 mm? -47.63 -53.19 15.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.46 -0.775 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 68' ' ' LYS . 8.9 p -63.14 -31.18 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.032 -1.042 . . . . 0.0 110.312 -179.704 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.57 -54.33 9.46 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.117 -0.99 . . . . 0.0 109.99 179.615 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.61 -29.21 66.67 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.002 -1.061 . . . . 0.0 110.985 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -82.7 4.51 24.74 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.98 -1.075 . . . . 0.0 110.754 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.14 -0.84 8.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.971 -1.081 . . . . 0.0 110.907 -179.352 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 N--CA 1.488 1.457 0 O-C-N 121.145 -0.972 . . . . 0.0 110.073 -179.128 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.988 0 C5'-C4'-C3' 111.094 -2.938 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.19 0 O4'-C1'-N19 111.255 3.055 . 0.028 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.071 0 C5'-C4'-C3' 111.134 -2.911 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.638 " O5'" ' H6 ' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.195 0 O4'-C1'-N19 111.227 3.027 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C5'-C4'-C3' 111.365 -2.756 . 0.033 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C5'-C4'-C3' 111.334 -2.777 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.97 0 O4'-C1'-N19 111.068 2.868 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.413 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.028 0 O4'-C1'-N19 110.866 2.666 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 O4'-C1'-N19 111.002 2.802 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.217 0 O4'-C1'-N19 111.169 2.969 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.707 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.239 0 O4'-C1'-N19 111.157 2.957 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.707 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.989 0 O4'-C1'-N19 110.757 2.557 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.511 " H4'" ' HE3' ' A' ' 7' ' ' LYS . . . . . . . . 0 O4'--C1' 1.441 2.215 0 O4'-C1'-N19 112.164 3.964 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.426 " H2'" ' C5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 C3'-C2'-C1' 104.453 3.281 . 0.28 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.455 " O2'" ' HB3' ' A' ' 15' ' ' GLU . . . . . . . . 0 O4'--C1' 1.441 2.231 0 C5'-C4'-C3' 111.131 -2.913 . 0.115 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.506 " O5'" ' H6 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.147 0 C5'-C4'-C3' 110.858 -3.094 . 0.014 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.682 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 O4'-C1'-N19 110.948 2.748 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.682 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.098 0 C5'-C4'-C3' 111.295 -2.803 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.958 0 O4'-C1'-N19 111.013 2.813 . 0.038 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C5'-C4'-C3' 111.364 -2.757 . 0.283 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.069 0 C5'-C4'-C3' 111.122 -2.919 . 0.043 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.893 0 C5'-C4'-C3' 111.318 -2.788 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.968 0 C5'-C4'-C3' 111.255 -2.83 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . 0.482 " H2'" " O4'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.025 0 O4'-C1'-N19 110.969 2.769 . 0.363 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.482 " O4'" " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.986 0 O4'-C1'-N19 111.124 2.924 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.065 0 C5'-C4'-C3' 111.335 -2.776 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 111.346 -2.77 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.596 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.065 0 C5'-C4'-C3' 111.27 -2.82 . 0.093 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.043 0 C5'-C4'-C3' 110.904 -3.064 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.775 0 O4'-C1'-N19 111.135 2.935 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttt . . . . . 0 N--CA 1.497 1.914 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.99 56.26 1.69 Allowed 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.804 0.812 . . . . 0.0 110.932 -176.525 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 54.42 -161.37 0.14 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.256 -0.902 . . . . 0.0 110.839 178.455 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.53 146.24 15.32 Favored Glycine 0 N--CA 1.503 3.115 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 37.21 50.72 1.01 Allowed 'General case' 0 N--CA 1.508 2.435 0 O-C-N 121.784 -0.833 . . . . 0.0 111.154 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.76 45.17 0.58 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.245 -1.534 . . . . 0.0 109.724 179.145 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 8' ' ' SER . 11.7 ttmt -93.52 -39.05 11.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.425 -0.797 . . . . 0.0 109.696 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.596 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 4.1 p 175.14 173.84 0.26 Allowed Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.358 -0.839 . . . . 0.0 109.352 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.596 ' HD2' ' HB2' ' A' ' 8' ' ' SER . 32.6 Cg_endo -73.95 73.78 3.6 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 121.746 1.631 . . . . 0.0 111.796 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 11' ' ' SER . 4.3 mt -138.78 -80.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.906 -1.122 . . . . 0.0 110.125 179.006 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.489 ' OG ' ' N2 ' ' B' ' 18' ' ' ' G' . 0.2 OUTLIER -51.58 -59.01 4.74 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.032 -1.043 . . . . 0.0 109.41 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -46.69 -42.48 16.58 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.501 -0.75 . . . . 0.0 110.058 178.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.81 HG22 HD11 ' A' ' 70' ' ' LEU . 99.5 t -63.59 -46.51 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.145 -0.972 . . . . 0.0 109.027 179.452 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.902 ' HA ' HG21 ' A' ' 24' ' ' VAL . 9.4 m-70 -61.19 -45.95 92.48 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.782 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' HB3' " O2'" ' B' ' 15' ' ' ' U' . 43.5 mt-10 -60.06 -50.99 71.55 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.664 -0.647 . . . . 0.0 109.725 179.22 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.71 -36.48 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.06 -1.025 . . . . 0.0 109.065 179.282 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.04 -42.14 96.81 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.626 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -85.75 -38.11 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 120.912 -1.346 . . . . 0.0 109.134 179.438 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -56.26 -26.31 51.17 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.263 -0.898 . . . . 0.0 110.644 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -109.99 -76.29 0.61 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.168 -0.958 . . . . 0.0 109.62 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 168.4 47.93 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.439 -0.788 . . . . 0.0 109.793 -179.662 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.515 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 26.7 mtt -131.18 118.68 20.8 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.704 -1.247 . . . . 0.0 111.079 -179.302 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -68.17 106.18 2.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.189 -0.944 . . . . 0.0 108.816 178.739 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.902 HG21 ' HA ' ' A' ' 14' ' ' HIS . 18.4 t -72.9 103.73 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.166 -0.959 . . . . 0.0 109.629 -179.453 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.603 ' HB2' HG22 ' A' ' 45' ' ' ILE . 5.1 m-70 -124.09 112.5 17.2 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.878 -1.139 . . . . 0.0 109.836 -179.289 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 9.8 m-85 -119.63 119.43 33.73 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.522 -0.736 . . . . 0.0 109.963 -179.158 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.622 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 8.3 tttm -142.1 141.46 32.72 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.767 -1.208 . . . . 0.0 111.269 -179.627 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.682 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.0 t -79.09 140.51 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 O-C-N 121.156 -0.965 . . . . 0.0 110.126 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 43' ' ' ALA . 9.8 mt -73.29 -43.15 61.5 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.555 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -100.94 -171.3 1.98 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.345 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -94.07 160.25 14.79 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.961 -1.087 . . . . 0.0 110.812 -179.334 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -82.0 103.94 11.99 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.559 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -54.79 154.33 9.65 Favored Glycine 0 N--CA 1.508 3.445 0 O-C-N 121.471 -0.768 . . . . 0.0 113.262 -177.025 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.514 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 37.3 Cg_endo -80.38 97.64 1.05 Allowed 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 123.114 2.543 . . . . 0.0 110.641 179.213 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 69.8 -64.43 0.35 Allowed 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.442 -0.786 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 37' ' ' MET . 72.8 m80 -73.51 100.57 3.31 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.068 -1.02 . . . . 0.0 109.404 179.787 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 36' ' ' HIS . 45.8 mtm 65.34 79.04 0.26 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.553 0.692 . . . . 0.0 109.342 -179.435 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.613 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 33.0 mtpt -77.71 33.72 0.17 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.106 -0.996 . . . . 0.0 111.124 -179.594 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.613 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 6.8 t30 167.88 178.25 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.437 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.506 ' HA ' ' HA ' ' A' ' 56' ' ' ASN . 64.7 m-85 -150.14 -65.28 0.21 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.987 -1.071 . . . . 0.0 109.315 179.301 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.2 mt -140.74 120.46 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.264 -0.897 . . . . 0.0 108.857 179.401 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 89.0 m -107.32 122.43 46.55 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.208 -0.933 . . . . 0.0 109.55 -179.762 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.686 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -100.4 148.25 24.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.319 -0.863 . . . . 0.0 109.956 -179.858 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.55 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 1.2 p -138.49 145.73 41.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.371 -0.831 . . . . 0.0 109.362 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.657 HG13 HG22 ' A' ' 50' ' ' VAL . 18.6 tt -134.48 148.43 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.146 -0.972 . . . . 0.0 109.995 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.515 ' HB ' ' HB3' ' A' ' 22' ' ' MET . 8.9 m -139.23 158.32 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.534 -0.729 . . . . 0.0 109.202 179.479 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.28 67.79 0.03 OUTLIER Glycine 0 N--CA 1.506 3.302 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.1 t 171.13 -41.17 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.708 -0.877 . . . . 0.0 109.746 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.471 HD11 HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -158.83 -177.71 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.28 -0.887 . . . . 0.0 110.455 -179.597 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.657 HG22 HG13 ' A' ' 45' ' ' ILE . 2.7 t -129.53 157.69 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.159 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.502 HG21 ' HB3' ' A' ' 68' ' ' LYS . 1.8 m -150.69 156.04 40.54 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.894 -1.129 . . . . 0.0 110.535 -179.586 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.23 155.59 34.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.059 -1.025 . . . . 0.0 110.182 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.44 110.18 0.87 Allowed Glycine 0 N--CA 1.501 2.979 0 N-CA-C 109.109 -1.597 . . . . 0.0 109.109 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.3 54.93 0.08 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.413 -1.051 . . . . 0.0 112.198 -178.326 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.796 ' HA2' HG22 ' A' ' 60' ' ' VAL . . . -77.92 94.28 1.21 Allowed Glycine 0 N--CA 1.505 3.236 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 178.338 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -124.96 -44.15 1.94 Allowed 'General case' 0 N--CA 1.507 2.385 0 O-C-N 121.628 -0.925 . . . . 0.0 111.987 -178.287 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.76 -129.13 1.31 Allowed Glycine 0 N--CA 1.503 3.118 0 O-C-N 120.725 -1.234 . . . . 0.0 111.534 -177.772 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 6.7 mtpp -84.18 128.51 34.61 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.309 -1.112 . . . . 0.0 109.656 -179.31 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.537 ' O ' ' CG1' ' A' ' 60' ' ' VAL . 16.7 mtpt 64.75 -155.37 0.29 Allowed 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -179.19 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.852 HG23 ' HB2' ' A' ' 64' ' ' ARG . 6.1 p 51.43 143.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.515 2.777 0 CA-C-O 122.864 1.316 . . . . 0.0 113.225 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 35.3 p 141.87 -88.08 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.889 179.515 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -67.94 -39.66 83.44 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.189 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' NZ ' ' OG ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -69.5 -61.36 1.82 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.431 -0.793 . . . . 0.0 108.998 177.99 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.852 ' HB2' HG23 ' A' ' 60' ' ' VAL . 31.1 ttt85 -49.43 -42.79 43.79 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.423 -0.798 . . . . 0.0 110.298 179.578 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.76 73.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 108.534 178.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' N ' ' HE2' ' A' ' 26' ' ' PHE . . . -75.28 -39.3 59.85 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.427 -0.796 . . . . 0.0 109.906 178.918 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.533 ' CD ' ' HA ' ' A' ' 64' ' ' ARG . 13.0 mt-10 -48.51 -56.68 7.67 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.812 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.502 ' HB3' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -59.61 -50.68 72.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.865 -0.522 . . . . 0.0 109.926 179.006 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.401 ' HG2' ' OG1' ' A' ' 51' ' ' THR . 0.0 OUTLIER -50.08 -54.48 20.17 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.1 -1.0 . . . . 0.0 110.375 179.861 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.81 HD11 HG22 ' A' ' 13' ' ' VAL . 63.8 mt -66.68 -43.41 84.56 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.843 -1.16 . . . . 0.0 110.185 179.793 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 50.6 t -63.24 -29.14 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 O-C-N 121.085 -1.009 . . . . 0.0 110.128 179.654 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' HA ' ' NZ ' ' A' ' 75' ' ' LYS . 15.7 mt-10 -89.16 -42.91 11.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.795 -1.19 . . . . 0.0 109.878 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.471 HD23 HD11 ' A' ' 49' ' ' ILE . 52.0 mt -69.87 -41.71 74.44 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.539 -0.726 . . . . 0.0 110.399 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -75.21 7.38 3.45 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.861 -1.149 . . . . 0.0 110.212 179.394 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -124.52 5.95 8.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.323 -0.861 . . . . 0.0 109.936 -179.844 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.81 -1.091 . . . . 0.0 110.109 -179.662 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.848 0 C5'-C4'-C3' 111.23 -2.847 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 C5'-C4'-C3' 111.349 -2.768 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.494 " H2'" " O4'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.073 0 C5'-C4'-C3' 111.009 -2.994 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.494 " O4'" " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.15 0 O4'-C1'-N19 111.321 3.121 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.456 " H5'" " O2'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.995 0 C5'-C4'-C3' 111.251 -2.832 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.161 0 O4'-C1'-N19 111.093 2.893 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.97 0 C5'-C4'-C3' 111.233 -2.845 . 0.35 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.188 0 C5'-C4'-C3' 111.185 -2.877 . 0.039 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.899 0 O4'-C1'-N19 111.039 2.839 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.52 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.014 0 C5'-C4'-C3' 111.214 -2.857 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.857 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.12 0 O4'-C1'-N19 111.096 2.896 . 0.152 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.857 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.998 0 O4'-C1'-N19 110.794 2.594 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.704 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.324 0 O4'-C1'-N19 112.059 3.859 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.704 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C3'-C2'-C1' 104.853 3.726 . 0.157 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.434 " O2'" ' HB3' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.614 2.051 0 O4'-C1'-N19 111.041 2.841 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.477 ' C5 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.073 0 C5'-C4'-C3' 111.358 -2.762 . 0.253 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.565 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 C5'-C4'-C3' 110.942 -3.038 . 0.158 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.565 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.12 0 C5'-C4'-C3' 111.044 -2.971 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.531 ' H21' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.824 0 C5'-C4'-C3' 110.846 -3.103 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.556 " O2'" " H5'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.015 0 O4'-C1'-N19 111.052 2.852 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.556 " H5'" " O2'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.943 0 C5'-C4'-C3' 111.104 -2.93 . 0.111 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.496 " O4'" " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.159 0 C5'-C4'-C3' 111.117 -2.922 . 0.019 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 0.449 ' C8 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.898 0 C5'-C4'-C3' 111.255 -2.83 . 0.181 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.969 0 C5'-C4'-C3' 111.125 -2.917 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.539 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.975 0 O4'-C1'-N19 111.094 2.894 . 0.2 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.539 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.153 0 C5'-C4'-C3' 111.251 -2.833 . 0.179 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.041 0 C5'-C4'-C3' 111.396 -2.736 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.425 ' N3 ' ' N1 ' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.184 0 O4'-C1'-N19 111.056 2.856 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.123 0 O4'-C1'-N19 111.142 2.942 . 0.242 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C5'-C4'-C3' 111.31 -2.794 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ptm . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 54.66 27.69 8.99 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-O 121.256 0.55 . . . . 0.0 111.225 179.416 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' OE2' ' NZ ' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -154.3 -174.72 5.08 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.862 -1.149 . . . . 0.0 109.704 179.529 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.08 -80.16 0.05 OUTLIER Glycine 0 N--CA 1.499 2.855 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -95.19 177.39 5.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.379 -1.071 . . . . 0.0 109.797 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' NZ ' ' OE2' ' A' ' 3' ' ' GLU . 0.4 OUTLIER 176.35 -37.44 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.611 -0.681 . . . . 0.0 109.213 -179.856 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.542 ' C ' ' HD3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -94.26 67.49 3.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.198 -0.939 . . . . 0.0 109.339 179.745 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.3 p -114.16 76.35 3.49 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.354 -0.841 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.542 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 36.4 Cg_endo -79.93 -60.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 122.563 2.176 . . . . 0.0 111.412 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.49 HG23 ' CD2' ' A' ' 14' ' ' HIS . 68.4 mt -137.87 -42.01 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.34 -0.85 . . . . 0.0 110.495 -178.924 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.43 -64.02 0.77 Allowed 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.275 -0.891 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -55.22 -36.03 65.54 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.351 -0.843 . . . . 0.0 110.471 -179.585 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.69 HG22 HD11 ' A' ' 70' ' ' LEU . 58.8 t -64.97 -43.75 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.581 -1.324 . . . . 0.0 108.491 178.826 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.521 ' HB3' ' C8 ' ' B' ' 17' ' ' ' G' . 10.8 m-70 -67.77 -38.71 83.78 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.811 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -66.03 -47.0 75.85 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.123 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.567 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 52.0 mt -58.71 -44.38 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.038 -1.039 . . . . 0.0 109.144 179.131 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.05 -50.83 57.99 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 178.533 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 18' ' ' ILE . 37.5 mm -80.08 64.65 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.234 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -168.07 -38.36 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.283 -0.885 . . . . 0.0 109.728 -179.204 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.2 tpm_? -109.27 -53.22 2.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.097 -1.002 . . . . 0.0 110.525 179.623 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 163.17 -18.64 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.645 0 O-C-N 121.798 -0.564 . . . . 0.0 111.45 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.498 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 1.1 mtp -75.56 127.64 33.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.758 -1.214 . . . . 0.0 111.655 -178.205 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 1.1 m -78.11 132.93 37.9 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.463 -0.773 . . . . 0.0 109.375 179.07 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.3 p -87.47 90.57 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.932 -1.105 . . . . 0.0 109.649 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.572 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 17.5 m-70 -108.42 114.21 27.88 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.786 -1.197 . . . . 0.0 110.288 -179.245 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -106.43 147.52 29.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 110.006 179.786 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -158.21 111.31 2.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.227 -0.921 . . . . 0.0 109.578 179.577 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.546 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 47.9 t -56.86 143.81 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 121.086 -1.009 . . . . 0.0 109.621 -179.741 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.793 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 12.6 mt -72.13 -50.6 26.67 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.277 -0.89 . . . . 0.0 109.131 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 17.8 ptt-85 -163.63 111.21 1.17 Allowed 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.975 179.209 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' HG11 ' A' ' 28' ' ' VAL . 1.2 mm-40 66.02 162.92 0.16 Allowed 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.686 0.755 . . . . 0.0 111.54 179.089 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.624 ' HG3' ' HE2' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -161.53 23.75 0.12 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.569 -0.707 . . . . 0.0 109.865 179.663 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.45 136.54 0.54 Allowed Glycine 0 N--CA 1.495 2.576 0 O-C-N 120.954 -1.091 . . . . 0.0 110.393 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.6 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 33.1 Cg_endo -76.36 68.39 6.83 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.407 2.071 . . . . 0.0 108.99 178.93 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 76.04 -58.16 0.55 Allowed 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -177.857 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.6 ' CE1' ' HG2' ' A' ' 34' ' ' PRO . 40.7 p-80 -92.5 164.56 13.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 109.03 178.37 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.604 ' HA ' ' HG3' ' A' ' 58' ' ' LYS . 1.9 tpp 58.37 41.41 23.09 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.063 -1.023 . . . . 0.0 110.479 -179.874 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -66.46 121.15 14.67 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.11 -0.994 . . . . 0.0 109.314 179.484 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.595 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 2.2 m120 -133.35 -179.68 5.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.461 -0.774 . . . . 0.0 110.656 -179.189 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.639 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER 68.41 -149.09 0.14 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.491 -0.756 . . . . 0.0 109.843 178.317 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 1.04 HG23 ' HB2' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -151.88 -76.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.868 -1.145 . . . . 0.0 109.947 -179.436 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.767 ' N ' HG22 ' A' ' 41' ' ' ILE . 8.9 t 141.27 168.74 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.76 0 CA-C-O 121.751 0.786 . . . . 0.0 109.916 -179.537 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.793 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . . . -107.71 153.14 23.37 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.072 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.564 ' HB3' ' SD ' ' A' ' 69' ' ' MET . 54.1 t -146.74 140.51 25.94 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.914 -1.116 . . . . 0.0 110.375 -179.543 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.572 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -127.75 136.06 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.178 -0.952 . . . . 0.0 109.555 179.491 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.498 ' HB ' ' HB3' ' A' ' 22' ' ' MET . 6.7 m -127.52 107.45 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.467 -0.77 . . . . 0.0 109.806 -179.784 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.92 -104.48 0.67 Allowed Glycine 0 N--CA 1.499 2.873 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 p -113.6 16.19 18.74 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.347 -1.09 . . . . 0.0 110.704 -179.7 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.0 mt -123.39 134.53 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.913 -1.117 . . . . 0.0 109.825 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 1.9 t -113.38 152.45 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.074 -1.016 . . . . 0.0 109.21 179.373 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.632 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 3.2 m -159.94 111.35 1.98 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.304 -0.872 . . . . 0.0 109.36 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.597 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . 2.1 pm0 -123.58 164.19 19.5 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.364 -0.835 . . . . 0.0 110.031 -179.24 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.522 ' O ' ' HB ' ' A' ' 41' ' ' ILE . . . -160.66 168.79 36.22 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.869 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.606 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 3.5 mt-10 -139.08 105.04 5.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.487 -1.008 . . . . 0.0 110.712 179.825 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.602 ' H ' HG12 ' A' ' 41' ' ' ILE . . . -76.1 168.77 54.83 Favored Glycine 0 N--CA 1.498 2.825 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 178.24 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -139.18 96.39 3.1 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.182 -1.775 . . . . 0.0 111.756 -179.408 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.34 149.58 5.0 Favored Glycine 0 N--CA 1.494 2.53 0 C-N-CA 119.959 -1.115 . . . . 0.0 110.951 178.367 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.604 ' HG3' ' HA ' ' A' ' 37' ' ' MET . 5.6 tttt -70.04 55.83 0.14 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.585 -0.95 . . . . 0.0 110.456 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 59' ' ' LYS . 5.3 ttpt -167.09 37.92 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.902 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.546 ' O ' ' CB ' ' A' ' 61' ' ' SER . 1.2 p -171.96 174.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -178.42 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.734 ' HA ' HD13 ' A' ' 41' ' ' ILE . 1.8 t 90.12 123.09 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 122.001 0.905 . . . . 0.0 109.396 -179.798 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.624 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 11.0 mttm 69.58 44.57 0.88 Allowed 'General case' 0 N--CA 1.503 2.22 0 CA-C-O 122.964 1.364 . . . . 0.0 107.433 -177.529 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 0.9 OUTLIER -177.68 -60.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 -179.394 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.921 ' HB2' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.08 -39.0 93.09 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.939 178.374 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 1.04 ' HB2' HG23 ' A' ' 41' ' ' ILE . . . -55.5 -50.83 68.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.385 -0.822 . . . . 0.0 109.363 -179.367 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.38 95.22 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.575 -0.703 . . . . 0.0 110.384 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.66 ' HG3' ' HA ' ' A' ' 64' ' ' ARG . 1.7 mt-10 -52.07 -49.73 62.92 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.299 -0.876 . . . . 0.0 108.993 179.289 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HA ' HG12 ' A' ' 71' ' ' VAL . 23.7 tttm -61.03 -51.55 68.71 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.546 -0.721 . . . . 0.0 109.294 178.796 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.632 ' SD ' ' HB ' ' A' ' 51' ' ' THR . 3.0 tpt -53.34 -49.44 67.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.355 -0.84 . . . . 0.0 110.447 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.69 HD11 HG22 ' A' ' 13' ' ' VAL . 56.3 mt -69.76 -51.31 35.12 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.011 -1.055 . . . . 0.0 110.57 -179.477 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 68' ' ' LYS . 3.3 p -58.01 -38.32 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.036 -1.04 . . . . 0.0 110.249 -179.661 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -76.72 -45.45 29.32 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.977 -1.077 . . . . 0.0 109.481 179.375 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.495 HD22 ' CE ' ' A' ' 22' ' ' MET . 21.5 mt -59.67 -30.07 68.5 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.11 -0.994 . . . . 0.0 109.57 179.224 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.57 8.95 17.44 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.213 -0.929 . . . . 0.0 109.845 178.85 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -126.65 -3.52 6.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.05 -1.031 . . . . 0.0 110.978 -179.397 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.409 -0.807 . . . . 0.0 110.431 -179.652 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.061 0 C5'-C4'-C3' 111.146 -2.903 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.953 0 C5'-C4'-C3' 110.903 -3.065 . 0.173 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.103 0 C5'-C4'-C3' 111.164 -2.89 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.207 0 O4'-C1'-N19 111.189 2.989 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.082 0 C5'-C4'-C3' 111.065 -2.957 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.998 0 C5'-C4'-C3' 111.224 -2.85 . 0.048 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.946 0 C5'-C4'-C3' 110.957 -3.028 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.926 0 C5'-C4'-C3' 111.272 -2.819 . 0.099 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.093 0 C5'-C4'-C3' 111.25 -2.833 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.441 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.015 0 C5'-C4'-C3' 111.052 -2.965 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.843 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.125 0 O4'-C1'-N19 111.116 2.916 . 0.099 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.843 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.938 0 O4'-C1'-N19 111.011 2.811 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.599 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.082 0 O4'-C1'-N19 112.007 3.807 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.599 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.293 0 C3'-C2'-C1' 104.379 3.199 . 0.422 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.848 0 C5'-C4'-C3' 110.954 -3.031 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.587 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.264 0 C5'-C4'-C3' 111.242 -2.839 . 0.371 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.813 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.03 0 C5'-C4'-C3' 111.277 -2.815 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.813 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.147 0 O4'-C1'-N19 111.012 2.812 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.762 0 C5'-C4'-C3' 110.924 -3.051 . 0.025 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.913 0 C5'-C4'-C3' 110.911 -3.059 . 0.073 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.418 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.984 0 O4'-C1'-N19 111.154 2.954 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.418 ' C2 ' ' C2 ' ' B' ' 21' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.193 0 O4'-C1'-N19 111.099 2.899 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.046 0 C5'-C4'-C3' 111.038 -2.975 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.179 0 C5'-C4'-C3' 111.331 -2.779 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.143 0 O4'-C1'-N19 111.102 2.902 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.486 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.126 0 O4'-C1'-N19 111.091 2.891 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 C5'-C4'-C3' 111.277 -2.815 . 0.443 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.463 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.988 0 C5'-C4'-C3' 111.222 -2.852 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.555 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.073 0 O4'-C1'-N19 110.983 2.783 . 0.203 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.542 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.155 0 C5'-C4'-C3' 110.961 -3.026 . 0.393 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.436 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 2.2 tpt . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.921 0.391 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.04 49.23 20.59 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.574 -0.704 . . . . 0.0 110.934 178.406 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 1' ' ' MET . 2.5 mt-10 -128.72 150.73 50.14 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.038 -1.039 . . . . 0.0 110.133 179.49 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.64 75.57 1.15 Allowed Glycine 0 N--CA 1.5 2.934 0 N-CA-C 110.371 -1.091 . . . . 0.0 110.371 179.306 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.521 ' O ' ' HE2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -71.62 49.01 0.16 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.78 -0.835 . . . . 0.0 110.388 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.521 ' HE2' ' O ' ' A' ' 5' ' ' ASP . 12.8 mmtt -143.89 110.79 5.68 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.805 -1.184 . . . . 0.0 109.239 179.854 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -140.82 5.59 1.97 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.4 -0.812 . . . . 0.0 110.804 -179.475 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.0 t -135.6 103.36 10.24 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.04 -1.037 . . . . 0.0 109.471 179.723 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 13' ' ' VAL . 37.0 Cg_endo -80.54 26.1 0.6 Allowed 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 122.664 2.243 . . . . 0.0 111.873 -179.682 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.412 HG21 " O5'" ' B' ' 19' ' ' ' G' . 43.7 mm -71.66 -61.21 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.7 -1.25 . . . . 0.0 110.412 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.7 t -45.21 -60.35 2.16 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.313 -0.867 . . . . 0.0 110.501 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -43.56 34.35 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.292 -0.88 . . . . 0.0 110.802 -179.626 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.056 HG22 HD21 ' A' ' 70' ' ' LEU . 53.6 t -60.63 -44.59 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 120.767 -1.208 . . . . 0.0 108.89 179.29 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.563 ' HA ' HG21 ' A' ' 24' ' ' VAL . 29.0 m-70 -65.87 -43.29 88.81 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.702 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 34.4 mt-10 -58.94 -51.07 71.64 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.424 -0.797 . . . . 0.0 109.436 179.076 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 48.1 mt -65.74 -49.18 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.234 -0.916 . . . . 0.0 109.501 179.822 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.535 ' HA2' ' HG2' ' A' ' 22' ' ' MET . . . -54.69 -46.84 73.66 Favored Glycine 0 N--CA 1.498 2.795 0 N-CA-C 109.816 -1.313 . . . . 0.0 109.816 179.505 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.444 HG13 " O4'" ' B' ' 17' ' ' ' G' . 20.7 mm -66.38 -43.43 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.663 -0.904 . . . . 0.0 109.686 179.387 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 9.9 tttt -71.17 -26.53 63.02 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.186 -0.946 . . . . 0.0 110.587 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.594 ' O ' ' HB3' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -89.25 -59.54 2.19 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.089 -1.007 . . . . 0.0 109.996 -179.787 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.594 ' HB3' ' O ' ' A' ' 20' ' ' ARG . 44.0 p-10 145.92 -21.31 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.701 0 CA-C-O 121.23 0.538 . . . . 0.0 109.589 -179.452 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.559 ' HG3' HG13 ' A' ' 46' ' ' VAL . 1.4 ptt? -58.15 137.86 56.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.267 -0.896 . . . . 0.0 111.402 -178.614 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -79.39 103.78 9.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.235 -0.916 . . . . 0.0 109.675 179.49 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.563 HG21 ' HA ' ' A' ' 14' ' ' HIS . 27.2 t -76.51 91.72 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.117 -0.989 . . . . 0.0 109.528 179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.613 ' HB2' HG22 ' A' ' 45' ' ' ILE . 14.3 m-70 -116.35 105.71 12.83 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.07 -1.019 . . . . 0.0 110.377 -179.459 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -90.7 137.97 31.94 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.243 -0.91 . . . . 0.0 109.714 179.503 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' O ' HG23 ' A' ' 42' ' ' THR . 81.8 mttt -140.97 165.77 26.64 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.146 -0.971 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.2 p -131.55 144.35 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.887 -1.133 . . . . 0.0 109.31 179.652 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 8.3 mt -85.95 -60.17 2.09 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.235 -0.916 . . . . 0.0 108.648 179.67 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 9.0 ttp180 169.07 170.2 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.536 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -106.53 160.34 15.49 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.583 -0.698 . . . . 0.0 109.407 179.545 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.54 17.64 9.79 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.044 -1.035 . . . . 0.0 110.395 179.915 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.81 138.23 3.96 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 179.371 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -74.87 -26.38 11.24 Favored 'Trans proline' 0 C--N 1.316 -1.183 0 C-N-CA 122.372 2.048 . . . . 0.0 110.694 179.298 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.37 -55.13 2.41 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.494 -0.754 . . . . 0.0 109.259 179.395 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -90.81 138.47 31.56 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.245 -0.909 . . . . 0.0 109.095 179.332 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 63.0 mtm 54.7 56.27 6.93 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-O 121.829 0.823 . . . . 0.0 109.571 -179.705 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.58 ' NZ ' " O2'" ' B' ' 3' ' ' ' A' . 39.8 mtpt -73.04 72.74 1.16 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.263 -0.898 . . . . 0.0 111.211 -179.006 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -115.22 144.73 43.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.281 -0.887 . . . . 0.0 108.907 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 31' ' ' GLU . 45.1 m-85 -126.86 105.08 8.4 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.944 -1.098 . . . . 0.0 110.294 -179.533 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 mt -88.95 117.91 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.079 -1.013 . . . . 0.0 110.011 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 61' ' ' SER . 29.8 m -112.1 137.59 49.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.337 -0.852 . . . . 0.0 109.694 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.95 126.91 53.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.182 -0.949 . . . . 0.0 109.586 179.727 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.555 ' HB3' ' HG3' ' A' ' 69' ' ' MET . 46.8 t -114.16 137.1 52.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.069 -1.019 . . . . 0.0 110.08 -179.824 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.733 HD13 ' N ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -117.42 137.16 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.343 -0.848 . . . . 0.0 109.012 179.238 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.733 ' N ' HD13 ' A' ' 45' ' ' ILE . 20.3 t -131.63 107.81 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.385 -0.822 . . . . 0.0 109.69 -179.5 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.72 -94.67 0.09 OUTLIER Glycine 0 N--CA 1.502 3.061 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -126.0 21.15 7.54 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.308 -1.113 . . . . 0.0 110.42 -179.878 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 mp -127.44 143.58 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.0 -1.063 . . . . 0.0 109.548 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.606 HG22 HG12 ' A' ' 45' ' ' ILE . 1.3 t -122.83 146.61 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.001 -1.062 . . . . 0.0 109.602 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.698 ' HB ' ' HG2' ' A' ' 69' ' ' MET . 23.5 m -140.67 126.05 18.79 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.45 -0.781 . . . . 0.0 109.94 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -95.63 152.51 18.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.332 -0.855 . . . . 0.0 109.802 179.668 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -146.17 122.76 1.71 Allowed Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.239 -1.545 . . . . 0.0 109.239 179.884 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.56 95.32 9.54 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.237 -1.155 . . . . 0.0 109.997 -179.403 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.7 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -89.14 152.13 22.57 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 109.779 -1.328 . . . . 0.0 109.779 179.404 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.71 -55.61 3.57 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.187 -1.184 . . . . 0.0 110.076 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.08 163.39 22.16 Favored Glycine 0 N--CA 1.5 2.94 0 O-C-N 120.976 -1.078 . . . . 0.0 110.494 -179.625 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -52.22 -38.02 56.75 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.505 -0.997 . . . . 0.0 110.665 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -84.43 7.75 18.63 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.048 -1.033 . . . . 0.0 110.795 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.12 -36.42 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 120.865 -1.147 . . . . 0.0 110.23 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.7 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 59.7 p -54.87 -69.93 0.12 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.216 -0.928 . . . . 0.0 110.207 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -40.96 71.21 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.408 -0.807 . . . . 0.0 110.034 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 16.1 tttm -63.93 -62.28 1.74 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.386 -0.821 . . . . 0.0 110.073 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -55.94 -40.41 73.11 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.43 -0.794 . . . . 0.0 109.942 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.485 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -64.33 -43.86 93.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.328 -0.857 . . . . 0.0 109.445 179.625 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.83 -46.77 70.89 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.289 -0.882 . . . . 0.0 110.044 179.634 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 41.6 mt-10 -55.72 -47.91 76.08 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.301 -0.874 . . . . 0.0 109.532 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -60.95 -38.34 85.54 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.407 -0.808 . . . . 0.0 109.364 178.835 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.698 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -64.22 -42.65 96.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.987 . . . . 0.0 109.597 179.265 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.056 HD21 HG22 ' A' ' 13' ' ' VAL . 15.8 mt -62.78 -51.11 68.37 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.095 -1.003 . . . . 0.0 110.55 -179.845 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.37 -40.55 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.014 -1.053 . . . . 0.0 110.233 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' OE1' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -70.57 -51.11 30.68 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.151 -0.968 . . . . 0.0 109.606 179.426 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.465 ' N ' ' CD2' ' A' ' 73' ' ' LEU . 1.1 mm? -69.49 -3.08 13.08 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.229 -0.919 . . . . 0.0 110.988 179.8 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -19.84 60.03 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.523 -1.361 . . . . 0.0 109.856 179.746 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -106.25 -29.2 9.95 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.233 -0.917 . . . . 0.0 110.159 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.9 mt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.511 -179.891 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.69 " H1'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C5'-C4'-C3' 110.691 -3.206 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.69 " O4'" " H1'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.769 0 O4'-C1'-N19 111.052 2.852 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.621 ' H8 ' " O5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.617 2.359 0 O4'-C1'-N19 111.304 3.104 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.552 ' C6 ' " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.441 2.24 0 O4'-C1'-N19 111.121 2.921 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.476 ' C8 ' " H2'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.099 0 O4'-C1'-N19 110.961 2.761 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . 0.42 ' C8 ' " H2'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.177 0 O4'-C1'-N19 111.139 2.939 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.258 0 O4'-C1'-N19 111.271 3.071 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.441 ' N3 ' ' N1 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.616 2.342 0 C5'-C4'-C3' 111.126 -2.916 . 0.129 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . 0.701 " O2'" ' H6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.244 0 C3'-C2'-C1' 103.927 2.696 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.701 ' H6 ' " O2'" ' B' ' 9' ' ' ' G' . . . . . . . . 0 P--O5' 1.619 2.633 0 O4'-C1'-N19 111.518 3.318 . 0.01 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.834 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.3 0 O4'-C1'-N19 111.246 3.046 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.834 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.996 0 O4'-C1'-N19 111.244 3.044 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.584 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.063 0 O4'-C1'-N19 111.729 3.529 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.67 ' O2 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.506 -2.187 0 C5'-C4'-C3' 111.196 -2.869 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.05 0 C3'-C2'-C1' 104.294 3.105 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.403 " O4'" ' C4 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.147 0 C5'-C4'-C3' 111.639 -2.574 . 0.677 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.8 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.448 0 O4'-C1'-N19 111.123 2.923 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.625 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.138 0 C5'-C4'-C3' 111.346 -2.769 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.412 " O5'" HG21 ' A' ' 10' ' ' ILE . . . . . . . . 0 P--O5' 1.612 1.913 0 C5'-C4'-C3' 111.019 -2.987 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.536 ' H8 ' ' OP2' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.397 0 C5'-C4'-C3' 111.219 -2.854 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.61 ' C4 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.294 0 O4'-C1'-N19 110.847 2.647 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 1.013 " H1'" " O4'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.679 0 C4'-C3'-C2' 105.507 2.807 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . 1.013 " O4'" " H1'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.62 2.747 0 P-O3'-C3' 124.124 3.687 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . 0.535 " H2'" ' N3 ' ' B' ' 24' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.994 0 C5'-C4'-C3' 110.853 -3.098 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.877 0 O4'-C1'-N19 111.169 2.969 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.456 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.12 0 O4'-C1'-N19 111.1 2.9 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.082 0 O4'-C1'-N19 111.079 2.879 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.562 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.13 0 O4'-C1'-N19 111.221 3.021 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.589 " H2'" ' C5 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.169 0 C5'-C4'-C3' 111.152 -2.898 . 0.329 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.642 ' H6 ' " O5'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.463 0 C5'-C4'-C3' 111.167 -2.889 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 ptt? . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.63 -177.88 5.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.558 -0.714 . . . . 0.0 110.498 -179.504 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 45.29 31.28 0.79 Allowed 'General case' 0 N--CA 1.505 2.281 0 CA-C-O 121.567 0.699 . . . . 0.0 110.475 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.65 34.62 2.14 Favored Glycine 0 N--CA 1.501 3.021 0 O-C-N 120.716 -1.24 . . . . 0.0 110.408 -179.874 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -135.92 162.56 32.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -1.181 . . . . 0.0 110.493 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.7 36.81 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.402 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 8' ' ' SER . 7.0 mttt -117.68 -39.55 3.12 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.651 -0.656 . . . . 0.0 110.54 -178.531 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.583 ' OG ' ' HG2' ' A' ' 63' ' ' LYS . 1.6 m 77.96 87.59 0.07 OUTLIER Pre-proline 0 N--CA 1.508 2.464 0 O-C-N 121.573 -0.704 . . . . 0.0 109.429 -179.213 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.501 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.5 Cg_endo -76.0 84.13 1.85 Allowed 'Trans proline' 0 C--N 1.317 -1.118 0 C-N-CA 122.324 2.016 . . . . 0.0 111.939 -179.153 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.55 -47.55 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.112 -0.993 . . . . 0.0 109.559 179.143 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.51 -59.32 3.86 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.246 -0.909 . . . . 0.0 110.017 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -51.37 -37.78 49.86 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.51 -0.744 . . . . 0.0 110.555 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.933 HG22 HD21 ' A' ' 70' ' ' LEU . 69.5 t -62.27 -46.65 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.812 -1.18 . . . . 0.0 108.05 178.61 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.849 ' HA ' HG11 ' A' ' 24' ' ' VAL . 52.4 m80 -64.55 -40.09 94.94 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.134 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 17.1 mt-10 -59.57 -54.93 40.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.584 -0.697 . . . . 0.0 109.367 179.002 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.1 -38.62 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.277 -0.889 . . . . 0.0 109.558 179.764 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.604 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -62.06 -58.35 13.13 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.626 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.26 -43.79 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.264 -1.139 . . . . 0.0 108.563 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HE3' " C1'" ' B' ' 15' ' ' ' U' . 18.8 mmtt -56.24 -33.65 65.61 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.37 -0.831 . . . . 0.0 109.709 178.91 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -97.78 22.25 9.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.264 -0.897 . . . . 0.0 110.212 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.8 37.22 27.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.12 -0.987 . . . . 0.0 110.544 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.649 ' HB3' HG13 ' A' ' 46' ' ' VAL . 5.7 mmt -102.68 156.66 17.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.855 -1.153 . . . . 0.0 110.352 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.467 ' OG1' ' HA ' ' A' ' 46' ' ' VAL . 23.0 p -67.51 -55.53 13.17 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.317 -0.864 . . . . 0.0 110.751 -179.483 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.849 HG11 ' HA ' ' A' ' 14' ' ' HIS . 4.3 t 64.2 65.38 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.543 -0.723 . . . . 0.0 109.823 -179.35 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.87 ' HB2' HG22 ' A' ' 45' ' ' ILE . 5.3 m-70 -110.16 101.47 10.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.69 -1.257 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 44' ' ' CYS . 17.0 m-85 -91.69 121.1 33.03 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.553 -0.717 . . . . 0.0 109.164 179.562 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' A' ' 28' ' ' VAL . 10.8 ttpt -155.29 148.22 24.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.828 -1.17 . . . . 0.0 111.236 -179.609 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 29' ' ' LEU . 49.1 t -96.95 160.64 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.262 -0.898 . . . . 0.0 108.596 178.794 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' N ' HG12 ' A' ' 28' ' ' VAL . 6.4 mt -98.32 -71.34 0.69 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.889 -1.132 . . . . 0.0 109.61 -179.737 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 177.33 132.22 0.06 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.492 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 3.6 mm-40 -133.25 -96.24 0.3 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.476 -0.765 . . . . 0.0 110.259 -179.157 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.599 ' HG2' ' HA ' ' A' ' 38' ' ' LYS . 1.3 mm-40 -62.39 108.94 1.21 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.054 -1.029 . . . . 0.0 110.781 -179.411 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.407 ' H ' ' HD2' ' A' ' 34' ' ' PRO . . . -101.86 -70.34 0.87 Allowed Glycine 0 N--CA 1.497 2.747 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 178.838 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.597 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 35.9 Cg_endo -80.17 -69.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 122.375 2.05 . . . . 0.0 110.48 178.749 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 165.47 77.56 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.764 -0.585 . . . . 0.0 109.77 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.67 -51.45 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.912 -1.117 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.0 ptp -79.43 63.03 3.93 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.954 -1.091 . . . . 0.0 109.217 179.667 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.599 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 5.2 mtpm? -69.08 91.54 0.5 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.46 0.647 . . . . 0.0 111.256 -178.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.43 ' OD1' ' HA ' ' A' ' 56' ' ' ASN . 1.1 t-20 -157.28 170.41 22.53 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.016 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.492 ' HA ' ' HG3' ' A' ' 31' ' ' GLU . 64.7 m-85 -146.1 91.59 2.09 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.761 -1.212 . . . . 0.0 112.012 -179.535 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.652 HG12 ' HG2' ' A' ' 54' ' ' GLU . 64.7 mt -83.46 105.04 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.079 -1.013 . . . . 0.0 109.683 178.832 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.8 m -93.35 126.65 38.58 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.871 -1.143 . . . . 0.0 109.111 179.328 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -109.17 139.29 44.28 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.081 -1.012 . . . . 0.0 110.933 -179.279 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . 44.0 t -126.45 127.09 44.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.387 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.87 HG22 ' HB2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -106.11 128.59 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.039 -1.038 . . . . 0.0 110.143 -179.879 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.649 HG13 ' HB3' ' A' ' 22' ' ' MET . 25.2 t -125.61 109.26 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.156 -0.965 . . . . 0.0 109.59 -179.764 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.51 -86.84 0.52 Allowed Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.768 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.3 m -140.17 15.6 2.43 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.354 -1.086 . . . . 0.0 110.593 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.2 mt -133.07 141.17 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.992 -1.068 . . . . 0.0 109.496 179.739 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.623 ' HB ' HG12 ' A' ' 45' ' ' ILE . 1.7 p -115.35 159.05 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.983 -1.073 . . . . 0.0 109.898 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.617 ' OG1' ' HG2' ' A' ' 69' ' ' MET . 54.6 p -133.7 101.79 5.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.607 -0.683 . . . . 0.0 109.606 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 3.4 mp0 -76.62 142.43 40.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.217 -0.927 . . . . 0.0 110.151 -179.821 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.28 93.06 0.4 Allowed Glycine 0 N--CA 1.498 2.832 0 N-CA-C 108.601 -1.8 . . . . 0.0 108.601 179.313 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.652 ' HG2' HG12 ' A' ' 41' ' ' ILE . 4.5 mt-10 -70.26 69.29 0.36 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.84 -0.8 . . . . 0.0 111.126 -178.621 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.591 ' HA3' ' N ' ' A' ' 61' ' ' SER . . . -83.07 150.05 27.16 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 178.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' HA ' ' OD1' ' A' ' 39' ' ' ASN . 5.1 p-10 -73.14 -26.05 61.06 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.007 -1.29 . . . . 0.0 111.569 -179.422 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.44 -88.97 0.15 Allowed Glycine 0 N--CA 1.504 3.189 0 O-C-N 120.535 -1.353 . . . . 0.0 110.476 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -61.79 -66.02 0.6 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.35 -1.088 . . . . 0.0 108.812 179.698 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.493 ' C ' HG23 ' A' ' 60' ' ' VAL . 19.2 mttm -82.7 148.2 28.03 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.529 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.547 HG12 ' H ' ' A' ' 61' ' ' SER . 1.6 t 62.53 -178.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.989 -1.069 . . . . 0.0 108.894 -179.27 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.591 ' N ' ' HA3' ' A' ' 55' ' ' GLY . 17.1 t 72.14 114.27 0.06 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.957 -1.09 . . . . 0.0 110.59 179.446 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 61' ' ' SER . 2.5 ttmt 77.18 -59.72 0.47 Allowed 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.026 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HG2' ' OG ' ' A' ' 8' ' ' SER . 0.2 OUTLIER -64.48 -56.9 11.13 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 176.966 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.529 ' HG2' HG13 ' A' ' 60' ' ' VAL . 1.8 tpt180 -61.33 -34.63 75.57 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.263 0.554 . . . . 0.0 109.734 178.109 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.04 73.72 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.768 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.79 85.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.556 -0.715 . . . . 0.0 109.184 178.511 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -51.49 -56.53 12.86 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.536 -0.728 . . . . 0.0 109.235 179.103 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.42 -37.66 70.5 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.145 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.617 ' HG2' ' OG1' ' A' ' 51' ' ' THR . 0.4 OUTLIER -66.7 -46.25 76.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.318 -0.864 . . . . 0.0 110.17 179.557 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.933 HD21 HG22 ' A' ' 13' ' ' VAL . 45.2 mt -69.33 -48.29 61.88 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.888 -1.133 . . . . 0.0 110.889 -179.459 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.11 -36.17 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.079 -1.013 . . . . 0.0 110.628 -179.376 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' NZ ' ' A' ' 75' ' ' LYS . 44.1 mm-40 -86.82 -47.27 9.21 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.004 -1.06 . . . . 0.0 110.009 179.48 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.614 HD11 HG11 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -59.49 -20.84 58.34 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.797 -1.189 . . . . 0.0 110.412 179.798 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -98.29 7.71 45.84 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.066 -1.021 . . . . 0.0 108.99 178.537 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -116.5 -27.62 6.69 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.489 -0.757 . . . . 0.0 109.599 179.719 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.734 -179.79 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . 0.672 " H1'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C3'-C2'-C1' 104.214 3.015 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.892 " O2'" " H5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.576 3.376 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.892 " H5'" " O2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.907 0 O4'-C1'-N19 111.259 3.059 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.574 " O4'" " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.143 0 C5'-C4'-C3' 111.019 -2.987 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.179 0 C5'-C4'-C3' 111.303 -2.798 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . 0.467 " H2'" ' C6 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.019 0 C5'-C4'-C3' 111.124 -2.917 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.467 ' C6 ' " H2'" ' B' ' 6' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.047 0 C5'-C4'-C3' 111.287 -2.809 . 0.282 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.431 ' C6 ' " H2'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.06 0 C5'-C4'-C3' 111.25 -2.833 . 0.483 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.036 0 C5'-C4'-C3' 111.386 -2.743 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.423 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.992 0 O4'-C1'-N19 111.082 2.882 . 0.218 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.442 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.156 0 C5'-C4'-C3' 111.186 -2.876 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.517 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.048 0 O4'-C1'-N19 111.084 2.884 . 0.262 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.102 0 O4'-C1'-N19 110.998 2.798 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.498 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C5'-C4'-C3' 110.806 -3.129 . 0.374 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.421 " C1'" ' HE3' ' A' ' 19' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C5'-C4'-C3' 111.264 -2.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.498 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.825 0 C5'-C4'-C3' 111.038 -2.975 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.809 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.07 0 C5'-C4'-C3' 111.045 -2.97 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.809 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.187 0 C5'-C4'-C3' 111.056 -2.962 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.487 " H2'" ' N3 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.02 0 C5'-C4'-C3' 111.073 -2.951 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.992 0 C5'-C4'-C3' 111.278 -2.814 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . 0.447 " H2'" ' C6 ' ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.925 0 C5'-C4'-C3' 111.266 -2.823 . 0.197 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.467 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.097 0 C5'-C4'-C3' 111.203 -2.865 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.123 0 O4'-C1'-N19 111.005 2.805 . 0.306 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.01 0 C5'-C4'-C3' 111.284 -2.811 . 0.133 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.121 0 O4'-C1'-N19 111.129 2.929 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.104 0 C5'-C4'-C3' 111.053 -2.964 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.028 0 C5'-C4'-C3' 111.329 -2.781 . 0.144 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.587 " H2'" " O4'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.902 0 C5'-C4'-C3' 111.134 -2.91 . 0.266 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.587 " O4'" " H2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.997 0 C5'-C4'-C3' 111.053 -2.965 . 0.015 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.476 " H2'" ' O2 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.055 0 C5'-C4'-C3' 111.008 -2.995 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.7 55.36 2.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.131 -0.981 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' OE2' ' N ' ' A' ' 1' ' ' MET . 3.9 mp0 -74.8 73.46 2.08 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.961 -1.087 . . . . 0.0 109.714 -179.618 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.35 -70.93 0.22 Allowed Glycine 0 N--CA 1.5 2.941 0 O-C-N 120.87 -1.144 . . . . 0.0 110.913 -179.506 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -94.78 157.35 15.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.058 -1.26 . . . . 0.0 110.677 -178.879 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 9.1 mtmt -77.27 76.07 3.82 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.347 -0.846 . . . . 0.0 110.312 -179.749 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 25.9 mtmt 74.98 -78.6 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.436 -0.79 . . . . 0.0 110.025 179.764 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 60.5 p 176.98 143.72 0.25 Allowed Pre-proline 0 N--CA 1.506 2.329 0 O-C-N 120.846 -1.159 . . . . 0.0 110.381 179.662 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -72.98 64.25 4.1 Favored 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 122.423 2.082 . . . . 0.0 110.962 179.458 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.508 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 26.5 mm -105.8 -63.9 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.431 -0.793 . . . . 0.0 109.405 179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -50.64 -44.89 57.56 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.105 -0.997 . . . . 0.0 109.096 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.69 -38.01 77.3 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.332 -0.855 . . . . 0.0 109.717 178.936 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.783 HG23 HD11 ' A' ' 70' ' ' LEU . 3.6 t -63.28 -44.42 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.749 -1.219 . . . . 0.0 107.786 178.088 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.415 ' HB3' ' C8 ' ' B' ' 17' ' ' ' G' . 7.1 m80 -62.27 -42.49 99.39 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.694 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -59.85 4.54 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.128 0.49 . . . . 0.0 110.924 179.068 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 13' ' ' VAL . 10.6 tt -53.76 -36.22 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.254 -0.903 . . . . 0.0 110.232 -179.34 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.59 ' CA ' ' HA ' ' A' ' 22' ' ' MET . . . -63.23 -57.62 14.69 Favored Glycine 0 N--CA 1.485 1.901 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.015 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 18' ' ' ILE . 3.4 mp -73.71 56.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-O 122.383 1.087 . . . . 0.0 108.845 178.836 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -157.12 -50.68 0.07 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.042 -1.036 . . . . 0.0 109.168 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -112.15 -45.56 3.28 Favored 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.82 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' C ' ' CG ' ' A' ' 22' ' ' MET . 24.5 m120 -147.3 -90.5 0.09 Allowed 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.151 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.59 ' HA ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -176.6 -76.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 0.0 108.906 178.837 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.782 HG22 ' N ' ' A' ' 47' ' ' GLY . 12.9 p 41.29 81.79 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 CA-C-O 121.566 0.698 . . . . 0.0 111.315 179.484 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' PHE . 21.7 t -74.6 -20.2 16.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.992 -1.068 . . . . 0.0 108.362 178.365 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.686 ' CD2' ' HG2' ' A' ' 69' ' ' MET . 38.5 m80 64.45 -73.34 0.05 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.386 -0.822 . . . . 0.0 111.426 178.116 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 5.4 m-85 -34.91 105.49 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 CA-C-O 121.913 0.863 . . . . 0.0 112.199 -178.816 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.7 tttm -144.63 99.28 3.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.46 -0.775 . . . . 0.0 109.228 179.685 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.69 95.23 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.778 -1.201 . . . . 0.0 109.92 -179.74 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.715 HD23 ' HB2' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -69.53 -32.97 72.12 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.209 -0.932 . . . . 0.0 109.886 179.622 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -169.83 135.63 1.46 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.832 . . . . 0.0 108.818 179.849 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.95 156.48 19.66 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.402 -0.811 . . . . 0.0 109.804 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.573 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 2.0 mp0 -90.63 145.6 24.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.424 -0.798 . . . . 0.0 109.937 -179.195 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' HA2' ' HD3' ' A' ' 34' ' ' PRO . . . -66.58 135.79 33.53 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 120.943 -1.098 . . . . 0.0 111.327 -178.849 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.409 ' HD3' ' HA2' ' A' ' 33' ' ' GLY . 36.0 Cg_endo -78.34 109.58 2.69 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 122.781 2.32 . . . . 0.0 110.389 179.056 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -175.68 -56.35 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.288 -0.882 . . . . 0.0 109.87 -179.905 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -127.45 -60.52 1.18 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.179 -0.951 . . . . 0.0 110.149 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.67 -45.87 92.17 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.216 -0.927 . . . . 0.0 110.086 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.55 57.2 6.88 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.625 -0.672 . . . . 0.0 111.512 178.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.573 ' O ' ' HB2' ' A' ' 32' ' ' GLU . 9.4 m120 -126.38 165.94 18.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.28 -0.888 . . . . 0.0 108.862 178.775 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.615 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 3.9 m-85 -146.71 104.15 3.71 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.896 -1.128 . . . . 0.0 110.488 -179.807 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mm -77.68 86.09 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.321 -0.862 . . . . 0.0 108.838 179.242 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.9 m -87.59 105.17 17.15 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.676 -1.265 . . . . 0.0 108.912 179.896 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.715 ' HB2' HD23 ' A' ' 29' ' ' LEU . . . -71.58 153.71 41.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.528 -0.732 . . . . 0.0 109.922 -179.716 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -136.12 109.64 7.97 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.109 -0.994 . . . . 0.0 109.34 179.482 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -89.61 126.59 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 120.967 -1.083 . . . . 0.0 111.456 -179.02 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.5 p -117.06 79.64 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-O 121.978 0.894 . . . . 0.0 109.905 179.306 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.782 ' N ' HG22 ' A' ' 23' ' ' THR . . . 71.04 -109.82 3.0 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 120.793 -1.192 . . . . 0.0 110.327 179.478 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -97.78 4.65 49.79 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.413 -1.051 . . . . 0.0 110.653 -179.77 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.53 ' HB ' ' CG1' ' A' ' 46' ' ' VAL . 42.1 mm -119.62 153.55 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.968 -1.082 . . . . 0.0 109.24 179.869 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.99 143.86 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.97 -1.081 . . . . 0.0 109.675 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.647 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 34.1 m -146.17 132.91 19.98 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.413 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.618 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.6 mp0 -80.35 153.67 28.23 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.199 -0.938 . . . . 0.0 111.569 -178.477 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.72 107.84 2.31 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.31 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -83.05 76.74 9.82 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.263 -1.139 . . . . 0.0 110.65 -178.895 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.776 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -108.35 151.66 17.02 Favored Glycine 0 N--CA 1.497 2.755 0 C-N-CA 119.838 -1.172 . . . . 0.0 110.222 179.448 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -57.91 -25.87 61.43 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.344 -1.092 . . . . 0.0 111.341 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.615 ' HA2' ' HB2' ' A' ' 40' ' ' PHE . . . 150.19 -138.29 6.64 Favored Glycine 0 N--CA 1.503 3.101 0 O-C-N 120.747 -1.221 . . . . 0.0 111.021 179.711 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 11.0 tttp -65.72 68.05 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 O-C-N 122.039 -0.683 . . . . 0.0 110.495 -179.254 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 11.7 tttt 178.81 -61.33 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 179.766 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.1 t -101.83 -24.24 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.256 -0.903 . . . . 0.0 111.154 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.776 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 4.9 t -58.12 -71.38 0.11 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.969 -1.082 . . . . 0.0 111.298 -178.932 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.508 ' HD3' HD11 ' A' ' 10' ' ' ILE . 5.6 ptpt -57.26 -29.48 63.87 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.872 -1.142 . . . . 0.0 110.911 -179.544 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' A' ' 7' ' ' LYS . 13.5 mtpp -73.95 -59.38 2.75 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.771 -1.206 . . . . 0.0 109.423 179.339 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -59.79 -40.72 89.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.524 -0.735 . . . . 0.0 109.665 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -58.84 -45.0 91.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.307 -0.871 . . . . 0.0 109.166 179.153 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.579 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . . . -66.87 -52.54 42.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.377 -0.827 . . . . 0.0 109.815 179.656 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.43 -48.18 65.92 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.471 -0.768 . . . . 0.0 109.435 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 8.7 mtpt -51.44 -51.52 54.16 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.291 -0.881 . . . . 0.0 110.288 179.368 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.686 ' HG2' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -72.96 -56.5 5.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.28 -0.888 . . . . 0.0 110.372 -179.464 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.783 HD11 HG23 ' A' ' 13' ' ' VAL . 12.5 mt -50.92 -46.79 60.9 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.297 -0.877 . . . . 0.0 110.369 -179.669 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.3 t -60.68 -45.68 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.084 -1.01 . . . . 0.0 109.328 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.19 -54.73 29.09 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.415 -0.803 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pp -73.14 -2.26 20.8 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.991 -1.068 . . . . 0.0 112.052 -179.249 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -12.8 61.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.294 -1.504 . . . . 0.0 110.296 179.499 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -127.97 0.49 5.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.032 -1.042 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 N--CA 1.486 1.351 0 O-C-N 121.253 -0.904 . . . . 0.0 109.938 -179.411 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.436 1.807 0 O4'-C1'-N19 111.435 3.235 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.03 0 C5'-C4'-C3' 110.87 -3.087 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.508 ' H8 ' " O5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.152 0 C5'-C4'-C3' 111.28 -2.813 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.099 0 C5'-C4'-C3' 110.914 -3.057 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . 0.404 ' N3 ' " H2'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 1.983 0 C5'-C4'-C3' 111.103 -2.932 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.885 0 C5'-C4'-C3' 111.229 -2.848 . 0.059 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.971 0 C5'-C4'-C3' 111.091 -2.939 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.409 " H2'" " O4'" ' B' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.883 0 C5'-C4'-C3' 111.164 -2.891 . 0.216 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . 0.409 " O4'" " H2'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.075 0 O4'-C1'-N19 110.948 2.748 . 0.038 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.182 0 C5'-C4'-C3' 111.288 -2.808 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.971 0 O4'-C1'-N19 111.05 2.85 . 0.189 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . 0.532 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.997 0 C5'-C4'-C3' 111.296 -2.803 . 0.263 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.663 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.181 0 C5'-C4'-C3' 111.268 -2.821 . 0.026 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.527 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C3'-C2'-C1' 104.495 3.327 . 0.215 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.596 " O5'" ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.204 0 C5'-C4'-C3' 111.495 -2.67 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.596 ' H5 ' " O5'" ' B' ' 15' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.089 0 C5'-C4'-C3' 111.17 -2.887 . 0.192 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.488 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.952 0 O4'-C1'-N19 111.114 2.914 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.453 " C4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.139 0 O4'-C1'-N19 111.048 2.848 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.059 0 C5'-C4'-C3' 110.848 -3.101 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.023 0 C5'-C4'-C3' 111.189 -2.874 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.894 0 C5'-C4'-C3' 111.298 -2.801 . 0.016 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.832 0 C5'-C4'-C3' 111.27 -2.82 . 0.034 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.928 0 O4'-C1'-N19 111.073 2.873 . 0.058 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.1 0 O4'-C1'-N19 110.971 2.771 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.478 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C5'-C4'-C3' 111.352 -2.765 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.478 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.076 0 C5'-C4'-C3' 111.168 -2.888 . 0.115 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.056 0 O4'-C1'-N19 110.896 2.696 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.531 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.947 0 C5'-C4'-C3' 111.105 -2.93 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.531 " H5'" " O2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.148 0 C5'-C4'-C3' 110.98 -3.013 . 0.311 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.474 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.229 0 C5'-C4'-C3' 111.472 -2.686 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.37 -53.04 4.24 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.686 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.18 121.25 7.77 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.565 -0.71 . . . . 0.0 110.283 179.836 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.18 -136.7 12.49 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -167.41 -164.12 0.57 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.696 -0.885 . . . . 0.0 109.006 179.794 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -178.42 -39.3 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.21 -0.931 . . . . 0.0 109.681 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 53.4 mttt -89.3 -30.51 18.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.267 -0.896 . . . . 0.0 110.71 -179.696 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 17.0 m 74.75 68.31 0.25 Allowed Pre-proline 0 N--CA 1.511 2.598 0 O-C-N 121.582 -0.699 . . . . 0.0 110.001 -179.111 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 36.6 Cg_endo -78.8 122.33 5.38 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.099 1.866 . . . . 0.0 110.857 179.732 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.7 mt -53.34 -38.13 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.33 -0.856 . . . . 0.0 110.013 179.715 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -62.95 1.31 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.209 -0.932 . . . . 0.0 109.659 179.376 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.489 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -48.57 -42.58 34.1 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.578 -0.701 . . . . 0.0 110.548 179.909 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.006 HG22 HD21 ' A' ' 70' ' ' LEU . 35.4 t -58.6 -50.04 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.047 -1.033 . . . . 0.0 109.367 179.719 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -67.5 -37.14 82.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.819 . . . . 0.0 109.273 179.073 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.593 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 43.3 mt-10 -64.74 -37.86 89.03 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.481 -0.762 . . . . 0.0 110.532 -179.849 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.3 mt -78.69 -42.03 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.871 -1.143 . . . . 0.0 108.845 179.787 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' HA3' HG23 ' A' ' 24' ' ' VAL . . . -66.02 -56.46 14.2 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 178.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.591 HD13 ' N7 ' ' B' ' 17' ' ' ' G' . 59.7 mt -80.99 76.62 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.399 -1.059 . . . . 0.0 108.89 178.873 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -169.59 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.867 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.599 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -104.76 -57.5 2.02 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.197 -0.939 . . . . 0.0 109.498 178.849 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 9.6 t30 177.42 56.12 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.694 -0.629 . . . . 0.0 109.955 179.487 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 14.4 mtt -152.06 115.54 4.79 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.84 -1.163 . . . . 0.0 110.807 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.469 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -81.79 103.66 11.63 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.05 -1.031 . . . . 0.0 109.284 179.354 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.553 HG22 HG13 ' A' ' 46' ' ' VAL . 59.0 t -86.4 120.04 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.269 -0.894 . . . . 0.0 110.093 -179.532 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.492 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 94.9 m-70 -142.02 113.15 7.53 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.334 -0.854 . . . . 0.0 109.491 179.505 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -79.7 149.69 31.11 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.413 -0.805 . . . . 0.0 110.313 -179.403 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.7 97.25 2.59 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.846 -1.159 . . . . 0.0 110.563 -179.736 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 13.3 p -72.29 127.89 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.037 -1.039 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 6.4 mt -79.87 -38.62 32.33 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.133 -0.979 . . . . 0.0 108.993 179.213 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER 74.76 167.89 0.29 Allowed 'General case' 0 N--CA 1.507 2.406 0 CA-C-O 121.759 0.79 . . . . 0.0 111.381 179.056 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.598 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . 2.0 mt-10 -144.97 -61.13 0.36 Allowed 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.809 0.814 . . . . 0.0 109.325 -179.335 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.7 tt0 -82.0 120.22 24.98 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.486 -0.759 . . . . 0.0 110.347 -179.419 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.19 169.13 14.97 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -74.2 -49.67 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.102 1.868 . . . . 0.0 109.719 179.29 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.96 49.11 1.13 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.084 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -81.39 -103.04 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.146 -0.971 . . . . 0.0 110.603 -179.045 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.6 ttm -58.78 -20.17 47.4 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.679 -1.263 . . . . 0.0 111.425 -178.932 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.697 ' NZ ' " O2'" ' B' ' 3' ' ' ' A' . 2.5 tttt 59.47 45.32 13.73 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.939 -1.101 . . . . 0.0 110.927 178.3 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.419 ' C ' ' CD2' ' A' ' 40' ' ' PHE . 77.8 m-20 -135.25 -132.54 0.16 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.248 -0.908 . . . . 0.0 109.069 179.868 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CD1' ' HB2' ' A' ' 31' ' ' GLU . 25.8 m-85 69.07 -158.32 0.18 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.064 -1.023 . . . . 0.0 110.766 178.817 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.476 ' HB ' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -57.04 128.48 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.964 -1.085 . . . . 0.0 109.566 -179.468 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.707 ' C ' ' HB2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -114.97 159.13 21.11 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.249 -0.907 . . . . 0.0 108.814 -179.833 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.564 ' N ' ' HB2' ' A' ' 52' ' ' GLU . . . -143.87 102.03 3.84 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.863 -1.148 . . . . 0.0 110.437 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.672 ' CB ' ' HG3' ' A' ' 52' ' ' GLU . 41.9 t -104.89 151.87 23.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.033 -1.042 . . . . 0.0 109.625 179.749 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.68 ' HA ' HG13 ' A' ' 50' ' ' VAL . 16.1 tt -114.66 132.2 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.465 -0.772 . . . . 0.0 108.929 178.865 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.553 HG13 HG22 ' A' ' 24' ' ' VAL . 85.0 t -142.27 88.86 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.409 -0.807 . . . . 0.0 109.437 -179.842 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.05 -100.56 0.65 Allowed Glycine 0 N--CA 1.5 2.907 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 p -104.19 -21.81 13.49 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.35 -1.088 . . . . 0.0 110.789 -179.534 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.574 HD12 HD22 ' A' ' 73' ' ' LEU . 91.8 mt -93.22 132.45 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.912 -1.118 . . . . 0.0 109.392 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.78 HG12 ' H ' ' A' ' 51' ' ' THR . 2.0 t -130.86 -172.26 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.284 -0.885 . . . . 0.0 109.153 179.438 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.78 ' H ' HG12 ' A' ' 50' ' ' VAL . 23.7 m 78.29 159.37 0.19 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -178.136 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 1.006 ' HG2' ' HB1' ' A' ' 65' ' ' ALA . 1.9 mt-10 -124.59 -57.24 1.56 Allowed 'General case' 0 C--N 1.294 -1.817 0 O-C-N 120.257 -1.527 . . . . 0.0 109.442 -179.046 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.75 -172.97 29.62 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -104.04 84.09 2.19 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.265 -1.138 . . . . 0.0 109.051 179.725 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.645 ' HA2' HG12 ' A' ' 60' ' ' VAL . . . -93.23 81.71 1.06 Allowed Glycine 0 N--CA 1.494 2.564 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.212 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.57 85.19 7.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.201 -1.176 . . . . 0.0 110.451 -179.858 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.571 ' HA3' HG23 ' A' ' 60' ' ' VAL . . . 162.32 154.98 7.79 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 179.793 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -47.71 -38.41 15.18 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.672 -0.899 . . . . 0.0 111.777 -179.32 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 19.3 mttm -119.74 25.17 10.16 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.939 -1.101 . . . . 0.0 111.141 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.645 HG12 ' HA2' ' A' ' 55' ' ' GLY . 3.1 t -93.78 -50.31 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.366 -1.459 . . . . 0.0 110.061 179.683 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.609 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 70.0 p -58.24 -81.11 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.169 -0.957 . . . . 0.0 110.808 -178.955 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.549 ' HE3' ' OG ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -42.78 -29.67 0.33 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.691 -0.631 . . . . 0.0 112.223 -179.078 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -92.28 -59.0 2.2 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.481 -1.387 . . . . 0.0 111.054 -179.495 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 4.3 mmt180 -59.76 -39.69 85.65 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.122 -0.986 . . . . 0.0 109.85 -179.763 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 1.006 ' HB1' ' HG2' ' A' ' 52' ' ' GLU . . . -63.83 -54.31 36.98 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.19 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.47 71.93 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.32 -0.863 . . . . 0.0 109.22 178.649 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.733 ' O ' HG22 ' A' ' 71' ' ' VAL . 14.7 mt-10 -53.71 -42.76 68.39 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.31 0.576 . . . . 0.0 109.804 179.507 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -73.75 -53.93 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.624 -0.673 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.0 mmt -47.82 -45.96 30.36 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 0.0 110.821 179.811 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.006 HD21 HG22 ' A' ' 13' ' ' VAL . 12.9 mt -70.1 -56.52 6.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.864 -1.147 . . . . 0.0 111.124 -179.12 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 67' ' ' GLU . 26.8 m -56.57 -42.43 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.851 -1.156 . . . . 0.0 110.436 -179.431 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -55.83 14.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.002 -1.061 . . . . 0.0 109.707 179.687 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.574 HD22 HD12 ' A' ' 49' ' ' ILE . 1.6 mm? -58.04 -30.57 66.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.076 -1.015 . . . . 0.0 110.154 179.836 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -52.06 -35.59 47.84 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.167 -0.958 . . . . 0.0 108.697 178.78 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -161.86 79.29 0.55 Allowed 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.636 0.731 . . . . 0.0 109.762 178.32 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.285 -2.219 0 CA-C-O 117.779 -1.105 . . . . 0.0 110.544 179.715 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.825 0 O4'-C1'-N19 111.16 2.96 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.129 0 C5'-C4'-C3' 111.083 -2.945 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.697 " O2'" ' NZ ' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.614 2.09 0 O4'-C1'-N19 111.493 3.293 . 0.121 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.445 " O5'" ' H6 ' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.119 0 C5'-C4'-C3' 111.25 -2.833 . 0.255 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 C5'-C4'-C3' 111.238 -2.842 . 0.286 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.034 0 O4'-C1'-N19 111.189 2.989 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.415 ' H6 ' " O5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.997 0 C5'-C4'-C3' 111.182 -2.879 . 0.329 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.93 0 C5'-C4'-C3' 111.02 -2.986 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.903 0 C5'-C4'-C3' 111.375 -2.75 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.884 0 O4'-C1'-N19 110.983 2.783 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.448 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.955 0 C5'-C4'-C3' 111.184 -2.878 . 0.087 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.187 0 C5'-C4'-C3' 110.937 -3.042 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.727 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.814 0 O4'-C1'-N19 111.025 2.825 . 0.081 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.608 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 O4'-C1'-N19 111.19 2.99 . 0.251 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.455 " O2'" ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.617 2.382 0 O4'-C1'-N19 112.048 3.848 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.608 ' N3 ' ' C2 ' ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.755 0 C5'-C4'-C3' 111.174 -2.884 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.591 ' N7 ' HD13 ' A' ' 18' ' ' ILE . . . . . . . . 0 P--O5' 1.617 2.351 0 O4'-C1'-N19 111.097 2.897 . 0.399 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.677 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.099 0 C5'-C4'-C3' 110.839 -3.107 . 0.022 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.75 " H2'" " O4'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.193 0 O4'-C1'-N19 111.034 2.834 . 0.115 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . 0.75 " O4'" " H2'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.151 0 C5'-C4'-C3' 111.332 -2.779 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 0 C5'-C4'-C3' 111.169 -2.887 . 0.069 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.925 0 C5'-C4'-C3' 111.214 -2.858 . 0.211 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.997 0 O4'-C1'-N19 110.958 2.758 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.148 0 C5'-C4'-C3' 111.492 -2.672 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.466 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.073 0 O4'-C1'-N19 111.147 2.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.466 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.191 0 O4'-C1'-N19 111.016 2.816 . 0.186 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.944 0 O4'-C1'-N19 111.019 2.819 . 0.427 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C5'-C4'-C3' 111.184 -2.878 . 0.016 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.065 0 O4'-C1'-N19 111.123 2.923 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.246 0 O4'-C1'-N19 111.098 2.898 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtm . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.99 166.48 22.78 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.508 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 63.4 111.62 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 121.895 0.855 . . . . 0.0 109.927 -178.988 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.82 63.76 0.56 Allowed Glycine 0 N--CA 1.5 2.915 0 O-C-N 120.646 -1.284 . . . . 0.0 111.038 -179.136 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -78.85 162.56 25.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.291 -1.123 . . . . 0.0 109.46 178.967 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -147.59 39.5 0.97 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.192 -0.943 . . . . 0.0 109.275 179.424 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.54 90.47 3.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.879 . . . . 0.0 110.465 -179.301 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -101.11 132.32 22.11 Favored Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.064 -1.023 . . . . 0.0 108.74 178.866 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' O ' HG23 ' A' ' 13' ' ' VAL . 30.0 Cg_endo -69.0 -51.59 0.44 Allowed 'Trans proline' 0 C--N 1.316 -1.167 0 C-N-CA 122.201 1.934 . . . . 0.0 110.387 -179.676 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 mt -54.41 -51.22 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.129 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.597 ' HB3' ' C2 ' ' B' ' 15' ' ' ' U' . 0.2 OUTLIER -57.2 -46.91 82.46 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.359 -0.838 . . . . 0.0 109.613 178.878 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.67 -44.51 96.37 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.091 -1.006 . . . . 0.0 108.744 179.021 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.674 HG12 HG11 ' A' ' 24' ' ' VAL . 92.3 t -57.82 -42.19 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 177.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.533 ' HB3' HD12 ' A' ' 18' ' ' ILE . 10.2 m170 -61.99 -49.18 77.1 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.406 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.601 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 2.4 mm-40 -51.78 -38.55 56.0 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.623 -0.673 . . . . 0.0 110.565 179.582 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.571 HG22 ' CB ' ' A' ' 21' ' ' ASN . 18.2 mt -86.52 -57.78 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.011 -1.055 . . . . 0.0 110.214 -179.313 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.431 ' HA3' HG13 ' A' ' 24' ' ' VAL . . . -55.46 -49.23 65.61 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.805 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 14' ' ' HIS . 54.0 mt -81.53 56.99 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.248 -1.149 . . . . 0.0 109.273 179.283 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.601 ' NZ ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -155.92 -67.71 0.11 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.844 -1.16 . . . . 0.0 108.996 179.919 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.88 45.31 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.58 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.571 ' CB ' HG22 ' A' ' 16' ' ' ILE . 13.6 t-20 -121.43 -78.42 0.6 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.0 110.082 -179.274 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.843 ' HG2' HD12 ' A' ' 45' ' ' ILE . 3.3 tpt -157.22 155.9 31.63 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.032 -1.042 . . . . 0.0 110.131 -178.299 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.571 ' O ' ' HE2' ' A' ' 22' ' ' MET . 0.2 OUTLIER -62.01 123.61 18.57 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.136 -0.978 . . . . 0.0 110.093 179.514 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.674 HG11 HG12 ' A' ' 13' ' ' VAL . 1.5 m -89.08 76.43 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.726 -1.234 . . . . 0.0 111.22 -179.697 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.725 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 88.8 m-70 -81.99 95.72 7.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 109.108 178.955 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.665 ' CE1' HG11 ' A' ' 13' ' ' VAL . 16.6 m-85 -97.87 120.71 38.75 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.168 -0.957 . . . . 0.0 109.722 -179.852 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 1.6 pttt -165.54 138.64 4.39 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.974 -1.079 . . . . 0.0 111.049 -179.917 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.701 HG22 ' OG1' ' A' ' 42' ' ' THR . 97.7 t -82.14 152.87 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.091 -1.006 . . . . 0.0 108.62 178.623 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 52' ' ' GLU . 9.6 mt -93.63 -57.58 2.53 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.892 -1.13 . . . . 0.0 109.406 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 177.71 172.05 0.61 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.764 -0.585 . . . . 0.0 110.175 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 1.8 pm0 -86.4 144.12 27.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.442 -0.786 . . . . 0.0 110.007 179.857 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.642 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 6.4 mt-10 -98.56 88.96 4.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.323 -0.861 . . . . 0.0 110.684 -179.306 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' HA3' ' HG3' ' A' ' 38' ' ' LYS . . . 138.48 174.17 13.31 Favored Glycine 0 N--CA 1.501 3.024 0 O-C-N 120.862 -1.149 . . . . 0.0 111.276 179.141 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.402 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 37.7 Cg_endo -82.18 147.13 14.48 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 C-N-CA 123.099 2.533 . . . . 0.0 111.055 179.919 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 63.14 -163.15 0.27 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.596 -0.69 . . . . 0.0 110.662 179.231 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.57 ' HB3' " O2'" ' B' ' 3' ' ' ' A' . 55.3 m-70 -97.1 -164.37 1.14 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.082 -1.011 . . . . 0.0 109.633 -179.706 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.22 31.16 19.52 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.82 -1.175 . . . . 0.0 109.456 -179.34 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.648 ' NZ ' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -113.34 175.87 5.27 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.873 -1.142 . . . . 0.0 110.036 -179.646 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.642 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -69.8 139.38 53.19 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.269 -0.894 . . . . 0.0 108.922 -179.741 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.509 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 20.5 m-85 -117.17 79.51 1.35 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.409 -0.807 . . . . 0.0 109.744 -179.356 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.768 HD11 ' HG3' ' A' ' 52' ' ' GLU . 17.2 tt -52.35 117.88 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.348 -0.845 . . . . 0.0 109.529 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.701 ' OG1' HG22 ' A' ' 28' ' ' VAL . 22.5 m -117.03 129.11 55.8 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.08 -1.013 . . . . 0.0 109.88 -179.014 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.765 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . . . -105.08 153.77 21.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.128 -0.983 . . . . 0.0 111.059 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.844 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 57.8 m -142.73 162.54 35.19 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.06 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.883 HG13 HG21 ' A' ' 50' ' ' VAL . 9.1 mm 63.32 -76.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.023 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' SER . 5.1 t 54.34 -56.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.651 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 177.055 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 45' ' ' ILE . . . -43.45 85.54 0.01 OUTLIER Glycine 0 N--CA 1.514 3.867 0 O-C-N 121.13 -0.981 . . . . 0.0 112.233 -178.126 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.4 m 62.07 5.02 1.32 Allowed 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.415 -1.05 . . . . 0.0 111.33 179.854 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.841 HG22 HG23 ' A' ' 50' ' ' VAL . 11.3 mt -149.75 160.44 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.975 -1.078 . . . . 0.0 110.226 -179.717 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.06 HG11 ' HE1' ' A' ' 69' ' ' MET . 62.0 t 61.44 -114.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.343 -0.848 . . . . 0.0 111.597 179.788 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.659 ' HB ' ' O ' ' A' ' 50' ' ' VAL . 6.4 t 126.6 -154.72 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.239 0 CA-C-N 118.821 0.737 . . . . 0.0 109.269 -179.327 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.768 ' HG3' HD11 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -74.32 174.72 8.45 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.246 1.022 . . . . 0.0 112.132 -179.357 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.76 136.38 6.17 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 108.27 -1.932 . . . . 0.0 108.27 179.203 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.487 ' CD ' HH21 ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.78 80.28 6.19 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.021 -1.282 . . . . 0.0 110.647 -178.87 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.679 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -89.95 159.03 27.51 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.5 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.519 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 23.8 t-20 -74.66 -68.73 0.51 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.041 -1.27 . . . . 0.0 110.652 -179.759 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.509 ' HA2' ' HB2' ' A' ' 40' ' ' PHE . . . -161.14 -144.33 3.95 Favored Glycine 0 N--CA 1.503 3.131 0 C-N-CA 119.781 -1.2 . . . . 0.0 111.357 -179.419 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 10.2 tttt -66.63 65.45 0.05 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.59 -0.947 . . . . 0.0 110.821 -179.235 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 170.47 -64.17 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.536 -0.727 . . . . 0.0 109.301 179.732 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' A' ' 56' ' ' ASN . 25.5 t -70.12 -46.38 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.46 -0.775 . . . . 0.0 110.384 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.679 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 52.1 m -59.12 -44.43 92.02 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.011 -1.056 . . . . 0.0 110.884 -179.105 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -15.4 62.27 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.389 -0.819 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HE2' ' CG ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -108.31 -56.59 2.23 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.034 -1.041 . . . . 0.0 110.395 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.487 HH21 ' CD ' ' A' ' 54' ' ' GLU . 9.9 ttt180 -53.93 -50.5 66.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.263 -0.898 . . . . 0.0 110.352 -179.496 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -62.67 -49.05 76.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.512 -0.742 . . . . 0.0 109.584 179.736 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.451 ' HA ' ' HG2' ' A' ' 69' ' ' MET . . . -58.53 -51.22 70.79 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.299 -0.876 . . . . 0.0 111.258 -179.477 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' CG ' ' HE2' ' A' ' 63' ' ' LYS . 5.2 mm-40 -51.77 -50.28 60.98 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.176 -0.952 . . . . 0.0 109.778 -179.833 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -53.44 -37.26 62.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.512 -0.743 . . . . 0.0 109.285 179.249 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' MET . . . . . 1.06 ' HE1' HG11 ' A' ' 50' ' ' VAL . 58.1 mmm -55.85 -50.14 71.41 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.313 -0.867 . . . . 0.0 108.988 178.505 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' A' ' 13' ' ' VAL . 33.8 mt -67.74 -44.7 76.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.499 -0.751 . . . . 0.0 109.316 179.285 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 67' ' ' GLU . 98.1 t -56.05 -45.54 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.586 -0.696 . . . . 0.0 110.124 179.721 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -55.08 6.41 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.455 -0.778 . . . . 0.0 110.429 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 45' ' ' ILE . 73.2 mt -58.71 -30.62 67.56 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.096 -1.003 . . . . 0.0 111.226 -179.214 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -77.88 -6.79 55.44 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.939 -1.101 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HE3' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -118.39 -32.65 4.58 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.802 -1.186 . . . . 0.0 111.194 -179.76 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.551 ' O ' ' HE2' ' A' ' 75' ' ' LYS . 2.4 mt . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 117.28 -1.343 . . . . 0.0 112.628 179.57 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.639 0 O4'-C1'-N19 111.561 3.361 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.439 " H2'" ' C8 ' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 O4'-C1'-N19 110.964 2.764 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 3' ' ' ' A' . . . . . 0.57 " O2'" ' HB3' ' A' ' 36' ' ' HIS . . . . . . . . 0 P--O5' 1.616 2.284 0 O4'-C1'-N19 110.987 2.787 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 4' ' ' ' C' . . . . . 0.438 ' C6 ' " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.189 0 C5'-C4'-C3' 111.496 -2.669 . 0.098 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.014 0 C5'-C4'-C3' 111.089 -2.941 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.983 0 C5'-C4'-C3' 111.193 -2.871 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 7' ' ' ' C' . . . . . 0.415 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.984 0 O4'-C1'-N19 111.105 2.905 . 0.263 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 8' ' ' ' U' . . . . . 0.526 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.041 0 C5'-C4'-C3' 111.286 -2.809 . 0.391 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.846 0 C5'-C4'-C3' 111.29 -2.807 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 10' ' ' ' U' . . . . . 0.414 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.016 2.816 . 0.243 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 11' ' ' ' C' . . . . . 0.415 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.072 0 O4'-C1'-N19 111.075 2.875 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.233 0 O4'-C1'-N19 111.112 2.912 . 0.133 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 13' ' ' ' C' . . . . . 0.524 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.065 0 O4'-C1'-N19 111.209 3.009 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 14' ' ' ' U' . . . . . 0.609 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.265 0 C5'-C4'-C3' 110.841 -3.106 . 0.202 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 15' ' ' ' U' . . . . . 0.597 ' C2 ' ' HB3' ' A' ' 11' ' ' SER . . . . . . . . 0 P--O5' 1.61 1.71 0 C5'-C4'-C3' 111.092 -2.939 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 16' ' ' ' C' . . . . . 0.609 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.254 0 O4'-C1'-N19 111.279 3.079 . 0.114 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.528 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 C5'-C4'-C3' 111.131 -2.913 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 18' ' ' ' G' . . . . . 0.492 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.967 0 C5'-C4'-C3' 110.924 -3.05 . 0.126 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 19' ' ' ' G' . . . . . 0.492 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.988 0 C5'-C4'-C3' 111.361 -2.759 . 0.105 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.979 0 C5'-C4'-C3' 110.992 -3.005 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.08 0 C5'-C4'-C3' 111.238 -2.841 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 22' ' ' ' C' . . . . . 0.616 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.856 0 C5'-C4'-C3' 111.15 -2.9 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.1 0 C5'-C4'-C3' 111.247 -2.835 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.061 0 O4'-C1'-N19 111.066 2.866 . 0.271 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.147 0 C5'-C4'-C3' 111.105 -2.93 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 26' ' ' ' U' . . . . . 0.522 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.961 0 O4'-C1'-N19 111.013 2.813 . 0.281 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.102 0 C5'-C4'-C3' 111.251 -2.833 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 28' ' ' ' U' . . . . . 0.497 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.016 0 O4'-C1'-N19 111.096 2.896 . 0.292 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.68 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.103 0 C5'-C4'-C3' 111.03 -2.98 . 0.392 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 30' ' ' ' C' . . . . . 0.484 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.506 0 O4'-C1'-N19 111.019 2.819 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.783 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.7 Cg_endo . . . . . 0 CA--C 1.539 0.765 0 N-CA-C 110.619 -0.57 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.671 HD11 ' HG2' ' A' ' 62' ' ' LYS . 22.0 mt -46.24 -49.95 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.479 -0.763 . . . . 0.0 110.064 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -56.04 -57.96 9.92 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.305 -0.872 . . . . 0.0 109.578 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -36.41 75.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.19 -0.944 . . . . 0.0 110.697 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 9' ' ' PRO . 25.1 t -60.97 -45.4 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 120.788 -1.195 . . . . 0.0 108.231 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.488 ' HA ' HG21 ' A' ' 24' ' ' VAL . 25.4 m-70 -66.98 -45.54 77.36 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 47.7 mt-10 -55.14 -50.71 68.59 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.623 -0.673 . . . . 0.0 109.485 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.6 mm -71.19 -40.07 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.009 -1.057 . . . . 0.0 109.474 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.62 -42.12 90.31 Favored Glycine 0 N--CA 1.497 2.753 0 N-CA-C 109.351 -1.499 . . . . 0.0 109.351 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.43 -48.86 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.629 -0.924 . . . . 0.0 109.418 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 5.5 tmtt? -56.26 -32.15 64.25 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.281 -0.887 . . . . 0.0 110.697 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -98.31 -78.02 0.5 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.178 -0.951 . . . . 0.0 109.627 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER 161.97 62.04 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.913 ' HB3' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -136.99 126.61 25.31 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.853 -1.154 . . . . 0.0 110.851 -177.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.443 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -74.3 101.83 4.16 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.34 -0.85 . . . . 0.0 108.744 178.645 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.488 HG21 ' HA ' ' A' ' 14' ' ' HIS . 53.3 t -80.85 106.16 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.251 -0.906 . . . . 0.0 110.111 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.794 ' HB2' HG22 ' A' ' 45' ' ' ILE . 7.5 m-70 -130.7 126.57 36.83 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.097 -1.002 . . . . 0.0 109.955 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CE2' HG12 ' A' ' 24' ' ' VAL . 73.1 m-85 -109.95 141.52 42.59 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.198 -0.939 . . . . 0.0 109.276 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -152.81 174.44 14.06 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.116 -0.99 . . . . 0.0 110.486 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.2 t -125.08 145.65 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.192 -0.943 . . . . 0.0 108.683 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.24 -24.63 14.78 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.144 -0.973 . . . . 0.0 110.8 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 . . . . . 0 N--CA 1.495 1.803 0 O-C-N 120.966 -1.083 . . . . 0.0 110.717 -179.351 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 120.612 0.244 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.402 HG23 HD12 ' A' ' 41' ' ' ILE . 9.5 mm -125.19 73.86 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.79 -1.194 . . . . 0.0 109.306 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -87.07 117.02 25.52 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.155 -0.966 . . . . 0.0 109.617 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.97 152.0 25.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.436 -0.79 . . . . 0.0 109.529 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.567 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 1.8 m -126.95 134.16 50.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.157 -0.964 . . . . 0.0 109.413 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.794 HG22 ' HB2' ' A' ' 25' ' ' HIS . 7.9 tt -114.08 142.8 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.087 -1.008 . . . . 0.0 109.113 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.913 HG22 ' HB3' ' A' ' 22' ' ' MET . 4.0 p -137.24 155.2 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -0.839 . . . . 0.0 109.234 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.68 63.86 0.04 OUTLIER Glycine 0 N--CA 1.507 3.37 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER 174.08 -39.24 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.626 -0.926 . . . . 0.0 109.714 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.22 -177.88 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.18 -0.95 . . . . 0.0 110.164 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.687 HG22 HG13 ' A' ' 45' ' ' ILE . 3.4 t -127.02 158.2 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.646 ' CG2' ' HG2' ' A' ' 68' ' ' LYS . 0.8 OUTLIER -140.63 111.54 7.03 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.878 -1.139 . . . . 0.0 111.006 -179.272 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 146.25 27.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.359 -0.838 . . . . 0.0 109.077 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.21 95.66 0.18 Allowed Glycine 0 N--CA 1.497 2.748 0 C-N-CA 119.653 -1.261 . . . . 0.0 110.549 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.92 63.06 0.63 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.548 -0.972 . . . . 0.0 110.078 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.678 0 N-CA-C 109.991 -1.243 . . . . 0.0 109.991 179.82 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.671 ' HG2' HD11 ' A' ' 10' ' ' ILE . 2.5 ttpt . . . . . 0 N--CA 1.498 1.973 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 34.3 tttp -72.58 -57.58 4.03 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -43.76 91.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.688 -0.632 . . . . 0.0 110.18 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.567 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -63.31 -56.5 15.93 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.556 -0.715 . . . . 0.0 109.864 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.31 91.42 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.315 -0.865 . . . . 0.0 109.899 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -55.98 -48.12 76.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.449 -0.782 . . . . 0.0 109.338 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.646 ' HG2' ' CG2' ' A' ' 51' ' ' THR . 9.8 tttt -58.76 -45.2 90.27 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.473 ' HE3' ' HB ' ' A' ' 46' ' ' VAL . 42.1 tpp -57.1 -38.53 73.53 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.619 ' CD2' HG22 ' A' ' 13' ' ' VAL . 14.1 mt -69.81 -56.89 5.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.327 -0.858 . . . . 0.0 110.064 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.576 HG12 ' HA ' ' A' ' 68' ' ' LYS . 8.9 p -56.9 -30.85 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.173 -0.954 . . . . 0.0 110.526 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.37 -50.17 8.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.766 -1.209 . . . . 0.0 108.987 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.651 HD11 HG21 ' A' ' 46' ' ' VAL . 14.2 mt -59.62 -29.14 67.8 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.198 -0.939 . . . . 0.0 110.068 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -9.94 54.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.839 -1.163 . . . . 0.0 109.535 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.1 -31.51 12.44 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.365 -0.835 . . . . 0.0 109.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 118.343 -0.836 . . . . 0.0 109.819 -179.308 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HB2' HD11 ' A' ' 70' ' ' LEU . 33.8 Cg_endo . . . . . 0 CA--C 1.544 1.017 0 CA-C-O 121.198 0.416 . . . . 0.0 112.177 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.581 ' O ' HG12 ' A' ' 13' ' ' VAL . 49.7 mm -69.8 -52.52 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.011 -1.055 . . . . 0.0 108.693 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -52.57 64.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.05 -1.031 . . . . 0.0 108.726 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -52.51 -43.63 65.21 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.628 -0.67 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.9 HG23 ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -63.25 -40.32 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.636 -1.29 . . . . 0.0 108.735 179.301 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.816 ' HA ' HG11 ' A' ' 24' ' ' VAL . 16.7 m-70 -67.26 -36.31 81.34 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 33.2 mt-10 -66.29 -60.23 2.97 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.777 -0.577 . . . . 0.0 110.206 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -55.38 -33.34 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.146 -0.972 . . . . 0.0 110.977 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.415 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -69.14 -49.11 42.38 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.7 mp -77.94 -37.07 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.61 -0.935 . . . . 0.0 110.626 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -60.84 -19.47 59.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.896 -1.128 . . . . 0.0 110.957 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -117.69 -76.98 0.57 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.096 -1.002 . . . . 0.0 109.799 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 30.7 t-20 171.81 62.13 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.579 -0.7 . . . . 0.0 109.67 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.415 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -140.06 117.59 11.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.745 -1.222 . . . . 0.0 110.492 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -66.78 100.7 0.73 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.395 -0.816 . . . . 0.0 109.451 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.816 HG11 ' HA ' ' A' ' 14' ' ' HIS . 9.4 p -96.36 110.76 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.393 -0.817 . . . . 0.0 110.114 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.799 ' HB2' HG22 ' A' ' 45' ' ' ILE . 9.9 m-70 -132.21 124.82 29.74 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.729 -1.232 . . . . 0.0 109.912 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE2' HG22 ' A' ' 24' ' ' VAL . 91.1 m-85 -111.32 123.99 51.33 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.27 -0.894 . . . . 0.0 109.521 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 28' ' ' VAL . 6.8 tttp -146.69 132.3 18.81 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.87 -1.144 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.517 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 77.4 t -76.06 149.72 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.085 -1.01 . . . . 0.0 109.428 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.891 HD21 ' HB2' ' A' ' 43' ' ' ALA . 7.4 mt -98.5 -63.93 1.08 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.339 -0.851 . . . . 0.0 109.569 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.808 0 O-C-N 121.576 -0.702 . . . . 0.0 110.251 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 120.974 0.416 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.35 101.45 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.343 -0.848 . . . . 0.0 109.712 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.517 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 52.4 m -95.9 117.49 30.71 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.131 -0.981 . . . . 0.0 109.22 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.891 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -79.78 143.06 34.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.429 -0.794 . . . . 0.0 109.817 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 1.047 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 7.4 m -131.67 119.37 21.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.367 -0.833 . . . . 0.0 109.755 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.799 HG22 ' HB2' ' A' ' 25' ' ' HIS . 3.3 tt -110.15 133.95 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.984 -1.072 . . . . 0.0 110.159 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.824 HG11 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.36 -168.8 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.71 93.67 0.12 Allowed Glycine 0 N--CA 1.501 3.018 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m 69.24 27.22 5.21 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.627 -0.925 . . . . 0.0 110.353 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.1 mt -141.86 150.84 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.091 -1.006 . . . . 0.0 109.524 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.402 HG22 HG13 ' A' ' 45' ' ' ILE . 2.4 t -130.06 151.44 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.824 -1.173 . . . . 0.0 108.587 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.663 HG23 ' HE3' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -165.3 116.98 1.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.235 -0.916 . . . . 0.0 109.931 -179.328 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' HG3' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -85.3 160.85 19.74 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.094 -1.004 . . . . 0.0 110.129 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.53 108.31 0.74 Allowed Glycine 0 N--CA 1.499 2.841 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.67 78.83 3.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.629 -0.924 . . . . 0.0 109.927 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.868 0 O-C-N 120.638 -1.289 . . . . 0.0 111.283 -179.528 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.439 ' HE2' HG13 ' A' ' 10' ' ' ILE . 24.6 tttt . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 120.769 0.319 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -101.57 -68.18 0.83 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.165 -0.959 . . . . 0.0 109.053 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -44.92 -38.32 4.58 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.555 -0.715 . . . . 0.0 110.251 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 1.047 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -66.2 -45.3 81.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.115 -0.991 . . . . 0.0 109.024 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.92 75.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.359 -0.838 . . . . 0.0 109.37 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.63 -52.62 22.19 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.576 -0.703 . . . . 0.0 109.183 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.663 ' HE3' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -55.18 -53.84 50.94 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.707 -0.621 . . . . 0.0 109.721 179.139 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.75 ' SD ' HG23 ' A' ' 24' ' ' VAL . 3.2 ttm -58.0 -37.44 74.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.138 -0.976 . . . . 0.0 110.201 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.9 ' CD2' HG23 ' A' ' 13' ' ' VAL . 13.1 mt -67.1 -49.59 64.45 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.923 -1.111 . . . . 0.0 109.394 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 68' ' ' LYS . 9.8 p -65.17 -35.9 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.045 -1.035 . . . . 0.0 108.994 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.47 ' OE2' ' HD2' ' A' ' 68' ' ' LYS . 2.5 mt-10 -64.74 -47.23 79.01 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.824 HD21 HG11 ' A' ' 46' ' ' VAL . 95.0 mt -74.06 -27.22 60.81 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.244 -0.91 . . . . 0.0 111.206 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.35 -10.53 59.75 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.872 -1.142 . . . . 0.0 111.318 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.562 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -117.11 -13.65 10.55 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -0.992 . . . . 0.0 110.877 -179.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 73' ' ' LEU . 13.2 mt . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.38 -1.295 . . . . 0.0 110.685 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 36.8 Cg_endo . . . . . 0 N--CA 1.48 0.71 0 CA-C-O 121.537 0.557 . . . . 0.0 111.51 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.668 HG22 ' CD2' ' A' ' 14' ' ' HIS . 45.2 mm -78.51 -49.39 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.256 -0.903 . . . . 0.0 109.887 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -49.96 28.48 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.127 -0.983 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.582 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -58.67 -44.24 90.13 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.13 -0.982 . . . . 0.0 109.443 179.422 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.812 HG22 HD21 ' A' ' 70' ' ' LEU . 65.4 t -59.3 -44.16 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.668 ' CD2' HG22 ' A' ' 10' ' ' ILE . 21.7 m-70 -61.67 -38.37 87.5 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.457 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -58.33 -61.74 2.36 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.816 -0.553 . . . . 0.0 109.729 178.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.2 pp -58.97 -36.89 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 120.794 -1.191 . . . . 0.0 110.192 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.69 -48.67 79.65 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.9 mm -73.73 -36.88 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.599 -0.942 . . . . 0.0 109.484 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 10.4 mmtp -61.57 -34.91 76.41 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.433 -0.792 . . . . 0.0 110.677 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.647 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -93.66 -72.86 0.59 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.228 -0.92 . . . . 0.0 109.298 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.647 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 37.0 t-20 164.69 64.93 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.17 141.19 46.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.856 -1.152 . . . . 0.0 110.413 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -41.59 97.53 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.677 -0.64 . . . . 0.0 110.439 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 t 64.82 72.86 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 CA-C-O 121.834 0.826 . . . . 0.0 109.433 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.566 ' HB2' HG22 ' A' ' 45' ' ' ILE . 5.0 m-70 -120.23 117.94 29.17 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.859 -1.151 . . . . 0.0 109.724 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 22.1 m-85 -92.49 149.04 21.62 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.388 -0.82 . . . . 0.0 109.704 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -158.61 118.94 3.25 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.945 -1.097 . . . . 0.0 110.537 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.656 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 78.4 t -76.62 130.73 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.138 -0.976 . . . . 0.0 109.014 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.584 HD21 ' CB ' ' A' ' 43' ' ' ALA . 7.3 mt -72.33 -48.37 42.58 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.349 -0.844 . . . . 0.0 108.885 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 2.1 ptm180 . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.216 0.531 . . . . 0.0 109.603 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 . . . . . 0 N--CA 1.494 1.734 0 CA-C-O 121.608 0.718 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.556 HG21 HD12 ' A' ' 29' ' ' LEU . 26.4 mm -89.59 101.8 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.537 -0.727 . . . . 0.0 109.567 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.656 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 78.7 m -110.49 117.25 33.06 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.342 -0.848 . . . . 0.0 109.35 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.584 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -99.71 169.1 9.49 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.127 -0.983 . . . . 0.0 110.586 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.1 t -151.63 150.4 30.24 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.454 -0.779 . . . . 0.0 109.635 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.611 HD13 ' N ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -127.44 139.46 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.132 -0.98 . . . . 0.0 109.761 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.611 ' N ' HD13 ' A' ' 45' ' ' ILE . 7.2 m -138.21 106.09 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.328 -0.857 . . . . 0.0 110.1 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.15 -98.62 0.91 Allowed Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.5 p -125.63 12.03 7.96 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.566 -0.961 . . . . 0.0 110.739 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.591 HG23 HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -122.83 138.95 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.691 -1.256 . . . . 0.0 109.699 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.06 151.61 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.506 -0.746 . . . . 0.0 109.347 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.462 ' OG1' ' HG2' ' A' ' 69' ' ' MET . 40.4 p -140.65 145.72 36.96 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.124 -0.985 . . . . 0.0 110.461 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -103.12 146.05 28.98 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.343 -0.848 . . . . 0.0 109.849 179.428 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -113.23 115.81 3.77 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.916 -1.273 . . . . 0.0 109.916 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -96.24 74.59 2.94 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 122.248 1.023 . . . . 0.0 110.416 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.77 0 O-C-N 120.37 -1.456 . . . . 0.0 110.366 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.0 mttt . . . . . 0 N--CA 1.499 2.021 0 CA-C-O 120.984 0.421 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.612 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -69.05 -66.68 0.55 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.055 -1.028 . . . . 0.0 109.018 178.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -49.49 -38.84 31.64 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.438 -0.789 . . . . 0.0 110.087 179.652 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -64.53 -49.67 70.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.453 -0.779 . . . . 0.0 109.571 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.48 81.1 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.216 -0.927 . . . . 0.0 110.724 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 2.9 mt-10 -52.15 -54.61 28.57 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.173 -0.955 . . . . 0.0 109.481 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -46.11 66.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.72 -0.613 . . . . 0.0 109.42 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.609 ' HE1' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -61.98 -54.82 36.31 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.407 -0.808 . . . . 0.0 109.418 179.39 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.812 HD21 HG22 ' A' ' 13' ' ' VAL . 51.4 mt -57.6 -47.08 83.11 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.045 -1.034 . . . . 0.0 110.717 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 67' ' ' GLU . 56.0 t -51.37 -42.24 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.344 -0.848 . . . . 0.0 110.455 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.466 ' OE2' ' NZ ' ' A' ' 75' ' ' LYS . 14.0 mm-40 -86.5 -49.63 7.44 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.023 -1.048 . . . . 0.0 109.708 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 69' ' ' MET . 9.6 mp -55.76 -29.14 59.11 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.21 -0.931 . . . . 0.0 110.793 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 14.7 mt-30 -86.72 -15.7 38.69 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.173 -0.955 . . . . 0.0 109.778 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.466 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 15.3 ttpt -98.09 -24.4 15.33 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.311 -0.868 . . . . 0.0 109.862 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.488 1.448 0 O-C-N 121.529 -0.732 . . . . 0.0 110.65 -179.128 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.673 ' HG3' ' HG3' ' A' ' 67' ' ' GLU . 34.4 Cg_endo . . . . . 0 CA--C 1.538 0.681 0 CA-C-O 121.663 0.61 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.638 HD11 ' O ' ' A' ' 62' ' ' LYS . 88.3 mt -124.0 -60.21 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.387 -0.821 . . . . 0.0 109.218 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.404 ' HB2' ' OE2' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -52.19 -67.2 0.27 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.545 -0.722 . . . . 0.0 109.947 179.623 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.96 -39.61 12.74 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.262 -0.899 . . . . 0.0 110.454 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.042 HG22 HD21 ' A' ' 70' ' ' LEU . 69.2 t -64.08 -46.3 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.048 -1.032 . . . . 0.0 108.717 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -64.1 -37.8 88.74 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 4.6 mt-10 -63.76 -55.49 22.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.705 -0.622 . . . . 0.0 109.613 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.1 pt -65.76 -33.18 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.858 -1.151 . . . . 0.0 109.437 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.53 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -64.84 -54.22 29.57 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 178.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.445 ' HA ' HD13 ' A' ' 18' ' ' ILE . 22.5 mm -62.32 -47.69 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.349 -1.089 . . . . 0.0 109.412 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.5 mmtp -58.66 -36.22 73.81 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.329 -0.857 . . . . 0.0 110.536 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -96.39 18.75 13.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.995 -1.066 . . . . 0.0 110.721 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 55.69 34.83 24.09 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.069 -1.019 . . . . 0.0 110.089 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.53 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 29.2 mtp -105.55 111.6 24.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 0.0 109.609 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -63.04 95.57 0.08 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.354 -0.841 . . . . 0.0 110.392 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.1 t -85.08 108.33 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.287 -0.883 . . . . 0.0 109.177 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.486 ' HB2' HG22 ' A' ' 45' ' ' ILE . 7.9 m-70 -130.06 124.71 33.49 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.999 -1.063 . . . . 0.0 110.33 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.477 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 39.4 m-85 -112.65 125.0 53.81 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.346 -0.846 . . . . 0.0 109.193 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.92 114.21 6.27 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.045 -1.034 . . . . 0.0 110.563 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.743 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 6.6 p -79.21 155.21 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.926 -1.109 . . . . 0.0 109.507 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' A' ' 29' ' ' LEU . 3.1 mt -71.34 -33.01 69.23 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 122.18 0.991 . . . . 0.0 108.844 -179.721 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.508 2.446 0 CA-C-O 121.516 0.674 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 3.2 mt -65.45 91.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.352 -0.842 . . . . 0.0 111.004 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.763 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 1.1 m -77.54 120.03 21.94 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.987 -1.07 . . . . 0.0 108.344 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.45 120.79 34.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 109.223 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.603 ' SG ' ' HG3' ' A' ' 69' ' ' MET . 25.5 p -129.94 153.64 48.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.882 -1.136 . . . . 0.0 110.831 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.486 HG22 ' HB2' ' A' ' 25' ' ' HIS . 19.9 tt -134.79 150.87 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.475 -0.766 . . . . 0.0 109.401 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' THR . 72.5 t -137.59 93.54 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.186 -0.946 . . . . 0.0 109.061 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 -93.24 0.51 Allowed Glycine 0 N--CA 1.499 2.842 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.82 8.36 10.53 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.361 -1.082 . . . . 0.0 110.797 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.8 mt -112.92 137.25 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 120.894 -1.129 . . . . 0.0 109.758 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.81 147.05 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.11 -0.994 . . . . 0.0 109.625 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.4 HG21 ' HG3' ' A' ' 68' ' ' LYS . 16.8 m -153.5 127.43 8.93 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.307 -0.871 . . . . 0.0 109.396 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.466 ' HA ' ' O ' ' A' ' 42' ' ' THR . 9.3 pt-20 -126.34 170.1 12.26 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.005 -1.06 . . . . 0.0 109.857 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 54' ' ' GLU . . . 126.59 -79.18 0.37 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.763 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 0.9 OUTLIER 65.08 -85.05 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.706 -0.879 . . . . 0.0 110.141 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.012 0 C-N-CA 119.949 -1.12 . . . . 0.0 110.787 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.638 ' O ' HD11 ' A' ' 10' ' ' ILE . 7.1 tttm . . . . . 0 N--CA 1.502 2.167 0 CA-C-O 122.38 1.086 . . . . 0.0 108.19 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.668 ' HG3' ' HD2' ' A' ' 9' ' ' PRO . 4.5 ttmt -175.79 -47.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.591 ' CB ' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -60.58 -57.42 12.79 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.035 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . . . -60.38 -40.76 92.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.452 -0.78 . . . . 0.0 109.092 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.31 -51.84 68.23 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.364 -0.835 . . . . 0.0 109.595 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.673 ' HG3' ' HG3' ' A' ' 9' ' ' PRO . 1.6 mt-10 -56.17 -42.04 76.41 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.434 -0.791 . . . . 0.0 109.107 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.55 ' O ' HG12 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.19 -42.09 93.94 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.576 -0.702 . . . . 0.0 109.241 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.603 ' HG3' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -65.54 -50.81 63.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.174 -0.954 . . . . 0.0 109.693 179.643 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.042 HD21 HG22 ' A' ' 13' ' ' VAL . 12.6 mt -51.39 -47.88 62.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.342 -0.848 . . . . 0.0 110.298 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 68' ' ' LYS . 8.1 p -69.48 -18.37 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.329 0 O-C-N 120.994 -1.066 . . . . 0.0 110.621 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -91.2 -56.16 3.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.677 -1.264 . . . . 0.0 110.133 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.22 -26.67 68.23 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.083 -1.011 . . . . 0.0 111.075 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 29.7 mt-30 -77.73 8.98 3.8 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.717 -1.24 . . . . 0.0 109.839 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.49 -9.5 15.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.0 110.251 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.222 -179.524 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.619 ' O ' HG23 ' A' ' 13' ' ' VAL . 30.7 Cg_endo . . . . . 0 N--CA 1.48 0.735 0 N-CA-C 111.148 -0.366 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.407 HD11 ' CG ' ' A' ' 62' ' ' LYS . 18.5 mt -55.93 -51.92 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.081 -1.012 . . . . 0.0 109.391 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -54.76 -50.15 69.13 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.192 -0.943 . . . . 0.0 109.706 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -53.78 -46.62 71.08 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.18 -0.95 . . . . 0.0 110.303 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.733 ' HA ' HD21 ' A' ' 70' ' ' LEU . 14.2 t -60.2 -44.47 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.013 -1.054 . . . . 0.0 109.194 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.515 ' HA ' HG21 ' A' ' 24' ' ' VAL . 22.1 m-70 -64.77 -40.96 96.14 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.222 -0.924 . . . . 0.0 108.74 178.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 5.0 mm-40 -62.98 -51.88 65.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.706 -0.621 . . . . 0.0 110.433 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.511 HG12 ' HA ' ' A' ' 13' ' ' VAL . 4.0 pt -58.06 -32.46 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.702 -1.249 . . . . 0.0 110.077 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.481 ' N ' HG13 ' A' ' 16' ' ' ILE . . . -77.82 -44.03 13.22 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.7 mt -72.41 -42.12 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.398 -1.06 . . . . 0.0 110.207 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -56.7 -33.31 66.34 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.246 -0.909 . . . . 0.0 110.469 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 5.5 mtp180 -96.44 -73.64 0.59 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.373 -0.83 . . . . 0.0 109.216 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 20' ' ' ARG . 3.5 p30 167.11 52.31 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.431 -0.793 . . . . 0.0 109.753 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mtt -138.07 125.1 21.38 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.85 -1.156 . . . . 0.0 110.776 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.436 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.84 124.51 23.15 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.261 -0.899 . . . . 0.0 109.386 179.176 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.704 HG22 HG23 ' A' ' 46' ' ' VAL . 23.2 t -106.59 120.59 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.188 -0.945 . . . . 0.0 109.705 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.72 ' HB2' HG22 ' A' ' 45' ' ' ILE . 23.5 m-70 -133.64 125.56 28.97 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.104 -0.998 . . . . 0.0 110.197 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 8.5 m-85 -114.0 146.5 40.07 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.357 -0.839 . . . . 0.0 109.501 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -167.2 146.73 5.26 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.922 -1.111 . . . . 0.0 110.628 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 49.9 t -88.0 151.6 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.125 -0.984 . . . . 0.0 108.907 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.696 HD21 ' CB ' ' A' ' 43' ' ' ALA . 1.8 mt -99.51 -33.79 10.51 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.007 -1.058 . . . . 0.0 110.222 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.494 1.768 0 O-C-N 120.973 -1.079 . . . . 0.0 111.208 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.569 ' CG2' HD12 ' A' ' 29' ' ' LEU . 2.1 mp -57.2 108.29 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 120.772 -1.205 . . . . 0.0 110.363 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 92.4 m -109.34 141.84 41.1 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.338 -0.852 . . . . 0.0 109.206 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.696 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -125.11 155.32 40.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.193 -0.942 . . . . 0.0 109.809 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.422 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 1.7 p -147.09 146.86 30.1 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.284 -0.885 . . . . 0.0 110.325 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.72 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.1 tt -127.66 142.61 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.362 -0.837 . . . . 0.0 109.221 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 24' ' ' VAL . 9.9 p -138.19 108.31 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.415 -0.803 . . . . 0.0 109.957 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.2 -92.37 0.05 OUTLIER Glycine 0 N--CA 1.503 3.111 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.1 t -126.76 20.92 7.06 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.336 -1.096 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -126.05 129.37 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.999 -1.063 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.646 HG22 HG13 ' A' ' 45' ' ' ILE . 1.7 t -113.17 150.98 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.059 -1.026 . . . . 0.0 108.757 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 m -150.59 162.8 39.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.967 -1.083 . . . . 0.0 110.529 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -120.71 169.62 10.22 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.695 0.759 . . . . 0.0 110.788 -179.183 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.13 97.13 0.13 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -72.13 77.37 0.96 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.449 -1.03 . . . . 0.0 108.898 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.442 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.456 ' HB2' ' HE2' ' A' ' 62' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.209 0 CA-C-O 120.868 0.366 . . . . 0.0 110.61 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -98.36 -64.62 1.02 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.083 -1.011 . . . . 0.0 109.472 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 -51.58 -39.2 57.45 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.457 -0.777 . . . . 0.0 111.278 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.01 68.49 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.812 -1.18 . . . . 0.0 108.859 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.489 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -63.77 -37.53 87.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.439 -0.788 . . . . 0.0 109.544 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 71' ' ' VAL . 35.0 mt-10 -55.88 -52.87 62.56 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.285 -0.884 . . . . 0.0 109.577 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 14.8 ttmt -55.48 -46.77 76.84 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.426 -0.796 . . . . 0.0 110.104 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.1 ttt -67.41 -47.05 71.41 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.086 -1.009 . . . . 0.0 110.541 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.733 HD21 ' HA ' ' A' ' 13' ' ' VAL . 39.7 mt -63.26 -38.6 91.8 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.062 -1.024 . . . . 0.0 109.839 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 67' ' ' GLU . 53.7 t -58.73 -48.36 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.108 -0.995 . . . . 0.0 109.172 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' NZ ' ' A' ' 75' ' ' LYS . 47.8 mm-40 -70.89 -48.34 54.26 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.285 -0.884 . . . . 0.0 109.658 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -58.01 -37.16 73.8 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.062 -1.024 . . . . 0.0 110.435 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -68.65 -7.01 29.27 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.167 -0.958 . . . . 0.0 109.714 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.434 ' NZ ' ' OE1' ' A' ' 72' ' ' GLU . 12.7 ttmt -91.9 -9.52 42.92 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.411 -0.806 . . . . 0.0 109.783 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.287 -0.883 . . . . 0.0 110.932 -179.066 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.434 ' HB2' ' HG3' ' A' ' 12' ' ' GLN . 35.6 Cg_endo . . . . . 0 CA--C 1.541 0.862 0 CA-C-O 121.404 0.502 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.543 ' O ' HG12 ' A' ' 13' ' ' VAL . 95.4 mt -53.68 -51.71 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.209 -0.932 . . . . 0.0 110.352 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -39.84 65.63 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.922 -1.111 . . . . 0.0 109.968 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.669 ' HA ' ' HG2' ' A' ' 15' ' ' GLU . 4.6 mt-30 -64.5 -50.16 68.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.514 -0.741 . . . . 0.0 109.778 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.95 HG23 HD21 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -59.24 -39.44 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.54 -1.35 . . . . 0.0 108.557 178.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.491 ' HA ' HG11 ' A' ' 24' ' ' VAL . 6.8 m-70 -63.41 -52.83 59.92 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.669 ' HG2' ' HA ' ' A' ' 12' ' ' GLN . 3.6 pt-20 -61.06 -40.83 95.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.359 -0.838 . . . . 0.0 110.162 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.665 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 34.0 mm -68.41 -47.98 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 120.915 -1.115 . . . . 0.0 109.709 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.438 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -61.59 -51.95 54.23 Favored Glycine 0 N--CA 1.499 2.892 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.8 mm -59.72 -47.7 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.392 -1.063 . . . . 0.0 109.446 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -55.77 -37.94 69.22 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.191 -0.943 . . . . 0.0 109.754 179.235 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -84.49 20.8 1.61 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.247 -0.908 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.78 29.94 16.71 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.96 -1.087 . . . . 0.0 110.516 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.1 mtm -113.71 126.48 55.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.885 -1.134 . . . . 0.0 109.751 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.84 122.43 17.31 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.13 -0.981 . . . . 0.0 109.669 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 14' ' ' HIS . 20.4 t -115.05 107.1 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.244 -0.91 . . . . 0.0 109.644 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.529 ' HB2' HG22 ' A' ' 45' ' ' ILE . 84.3 m-70 -122.23 132.47 54.45 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.16 -0.962 . . . . 0.0 109.704 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -128.25 91.26 3.22 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.29 -0.881 . . . . 0.0 110.007 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 28' ' ' VAL . 1.4 ttpt -120.44 120.99 37.51 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.157 -0.964 . . . . 0.0 110.366 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.4 p -70.32 154.34 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 120.869 -1.144 . . . . 0.0 109.929 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.019 HD21 ' HB2' ' A' ' 43' ' ' ALA . 13.4 mt -91.22 -64.4 1.13 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.971 -1.081 . . . . 0.0 109.31 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 121.228 0.537 . . . . 0.0 109.924 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 . . . . . 0 N--CA 1.499 2.005 0 CA-C-O 121.283 0.563 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 mm -85.85 124.0 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.008 -1.058 . . . . 0.0 109.256 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 34.4 m -100.62 146.24 27.39 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.21 -0.931 . . . . 0.0 109.396 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 1.019 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -118.35 121.44 40.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.835 -1.166 . . . . 0.0 109.779 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 6.5 p -134.83 152.2 51.56 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.961 -1.087 . . . . 0.0 109.094 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.758 HG13 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -133.06 136.24 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.127 -0.983 . . . . 0.0 109.756 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.732 HG12 ' HE2' ' A' ' 69' ' ' MET . 4.8 p -168.88 131.64 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.687 -0.633 . . . . 0.0 109.637 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.31 -101.34 0.08 OUTLIER Glycine 0 N--CA 1.5 2.932 0 N-CA-C 110.241 -1.143 . . . . 0.0 110.241 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 t -120.82 14.97 11.73 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.374 -1.074 . . . . 0.0 110.82 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.574 HD11 ' HG3' ' A' ' 72' ' ' GLU . 41.8 mm -108.52 144.85 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 120.928 -1.107 . . . . 0.0 110.236 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.758 HG22 HG13 ' A' ' 45' ' ' ILE . 45.4 t -134.37 163.39 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.82 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 39.8 p 28.17 -94.53 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 mm-40 44.32 20.61 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 177.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.471 ' HA3' ' HB ' ' A' ' 42' ' ' THR . . . -86.88 84.54 1.56 Allowed Glycine 0 N--CA 1.499 2.887 0 O-C-N 120.504 -1.372 . . . . 0.0 110.885 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -87.88 74.12 9.07 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.165 -1.197 . . . . 0.0 110.206 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.001 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.408 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -50.98 -61.84 1.98 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.718 -0.614 . . . . 0.0 109.793 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.74 -47.48 30.24 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.625 -0.672 . . . . 0.0 110.49 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.88 83.61 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.184 -0.947 . . . . 0.0 109.144 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.2 85.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.338 -0.851 . . . . 0.0 110.255 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.41 -42.88 70.97 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.206 -0.934 . . . . 0.0 109.442 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' HG12 ' A' ' 71' ' ' VAL . 12.3 ttmt -63.46 -40.28 96.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.439 -0.788 . . . . 0.0 109.325 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.732 ' HE2' HG12 ' A' ' 46' ' ' VAL . 5.9 mtt -68.21 -43.39 78.15 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.219 -0.926 . . . . 0.0 109.876 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.95 HD21 HG23 ' A' ' 13' ' ' VAL . 32.3 mt -59.92 -52.39 65.6 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.156 -0.965 . . . . 0.0 110.361 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 68' ' ' LYS . 12.1 p -56.68 -34.56 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.053 -1.029 . . . . 0.0 109.747 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG3' HD11 ' A' ' 49' ' ' ILE . 2.9 tm-20 -73.09 -57.82 3.75 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.233 -0.917 . . . . 0.0 109.329 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.6 mt -56.22 -28.44 58.36 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.282 -0.886 . . . . 0.0 110.308 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -87.43 9.96 19.06 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.088 -1.007 . . . . 0.0 109.681 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -115.49 -15.9 11.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.269 -0.895 . . . . 0.0 110.685 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.307 -179.649 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.5 Cg_endo . . . . . 0 N--CA 1.48 0.716 0 N-CA-C 110.677 -0.547 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.9 mt -94.69 -43.43 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.172 -0.955 . . . . 0.0 109.871 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.81 -58.57 5.1 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.099 -1.0 . . . . 0.0 110.578 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -40.87 83.58 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.054 -1.029 . . . . 0.0 110.36 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.775 HG22 HD21 ' A' ' 70' ' ' LEU . 61.5 t -58.15 -42.29 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.813 -1.179 . . . . 0.0 108.61 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.651 ' HA ' HG21 ' A' ' 24' ' ' VAL . 20.3 m-70 -66.88 -36.1 81.54 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -61.42 -54.18 46.94 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.586 -0.696 . . . . 0.0 109.906 178.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.572 HD13 HD13 ' A' ' 73' ' ' LEU . 1.2 pp -67.96 -38.57 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.196 -0.94 . . . . 0.0 109.675 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.642 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -62.15 -52.37 50.29 Favored Glycine 0 N--CA 1.5 2.94 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 18' ' ' ILE . 48.0 mm -79.93 61.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 4.0 ttmt -167.71 -53.2 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.099 -1.001 . . . . 0.0 109.379 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.04 34.19 1.6 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.213 -0.929 . . . . 0.0 109.471 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 55.24 54.62 8.49 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.327 -0.858 . . . . 0.0 110.087 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.642 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 3.8 mtt -120.74 132.89 55.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.036 -1.04 . . . . 0.0 110.123 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.539 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -85.83 100.13 11.85 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.106 -0.996 . . . . 0.0 110.152 -179.619 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.651 HG21 ' HA ' ' A' ' 14' ' ' HIS . 61.5 t -71.42 96.29 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.915 -1.116 . . . . 0.0 109.126 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.793 ' HB2' HG22 ' A' ' 45' ' ' ILE . 3.8 m-70 -117.18 78.41 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.929 -1.107 . . . . 0.0 110.211 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CD1' ' HB2' ' A' ' 44' ' ' CYS . 5.1 m-85 -69.27 160.19 31.68 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.48 -0.762 . . . . 0.0 109.972 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -175.2 -179.81 1.4 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.114 -0.991 . . . . 0.0 110.151 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -132.49 152.19 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.115 -0.991 . . . . 0.0 108.887 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 43' ' ' ALA . 8.0 mt -94.39 -52.33 4.39 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.155 -0.966 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.964 0 O-C-N 121.76 -0.587 . . . . 0.0 110.272 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 N--CA 1.5 2.055 0 CA-C-O 121.471 0.653 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.578 ' CG2' HD12 ' A' ' 29' ' ' LEU . 10.2 mm -73.73 100.76 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.098 -1.001 . . . . 0.0 109.257 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.684 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 25.5 m -93.33 144.72 25.05 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.209 -0.932 . . . . 0.0 110.466 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.595 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -134.99 157.56 46.6 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.433 -0.792 . . . . 0.0 109.944 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.519 ' C ' HG23 ' A' ' 50' ' ' VAL . 42.2 t -151.84 121.15 6.79 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.918 -1.114 . . . . 0.0 109.589 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.793 HG22 ' HB2' ' A' ' 25' ' ' HIS . 8.1 tt -101.2 135.87 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.05 -1.031 . . . . 0.0 109.699 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.601 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 98.7 t -136.68 114.47 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . 57.2 42.69 93.47 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 5.0 m 82.98 -33.04 0.08 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.841 -0.799 . . . . 0.0 111.297 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -81.35 117.18 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.68 -1.262 . . . . 0.0 110.01 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.757 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 4.8 p -104.26 159.75 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.764 -1.21 . . . . 0.0 110.379 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.846 HG21 ' HB2' ' A' ' 69' ' ' MET . 14.7 t -122.2 142.68 50.17 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.22 134.25 51.33 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.253 -0.905 . . . . 0.0 108.86 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.513 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -129.54 93.43 0.33 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.05 83.19 0.22 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.628 -0.925 . . . . 0.0 110.015 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.793 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.695 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.595 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.23 -55.16 38.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.484 -0.76 . . . . 0.0 109.709 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.42 -45.78 87.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.459 -0.776 . . . . 0.0 110.175 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.684 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -57.01 -44.56 82.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.195 -0.94 . . . . 0.0 109.594 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.97 -42.2 66.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.508 -0.745 . . . . 0.0 110.187 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 71' ' ' VAL . 38.5 mt-10 -51.93 -54.63 27.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.245 -0.91 . . . . 0.0 109.499 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.47 -45.22 89.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.45 -0.781 . . . . 0.0 110.23 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.846 ' HB2' HG21 ' A' ' 51' ' ' THR . 1.3 ttt -60.82 -52.5 64.79 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.014 -1.054 . . . . 0.0 109.639 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.775 HD21 HG22 ' A' ' 13' ' ' VAL . 85.4 mt -59.81 -44.64 93.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.465 -0.772 . . . . 0.0 109.482 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 67' ' ' GLU . 36.7 t -54.59 -39.26 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.269 -0.895 . . . . 0.0 109.832 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.18 -55.13 5.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.415 -0.803 . . . . 0.0 110.44 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.771 HD21 HD23 ' A' ' 70' ' ' LEU . 2.9 pp -62.44 -24.92 67.69 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.851 -1.156 . . . . 0.0 111.473 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -76.17 6.85 4.82 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.674 -1.267 . . . . 0.0 110.485 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -106.05 -17.66 14.26 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.99 -1.069 . . . . 0.0 110.314 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.485 1.306 0 O-C-N 121.302 -0.874 . . . . 0.0 109.845 -179.059 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' VAL . 36.8 Cg_endo . . . . . 0 CA--C 1.539 0.739 0 N-CA-C 110.818 -0.493 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.0 mm -64.29 -49.45 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.905 -1.122 . . . . 0.0 110.199 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -64.79 0.75 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.42 -0.8 . . . . 0.0 110.455 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -49.1 -41.27 35.2 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.165 -0.959 . . . . 0.0 110.754 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.797 HG21 ' HB1' ' A' ' 66' ' ' ALA . 41.6 t -59.33 -48.48 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.761 -1.212 . . . . 0.0 108.505 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -63.35 -40.11 96.38 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 2.6 mt-10 -57.94 -52.89 63.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.528 -0.733 . . . . 0.0 109.424 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.569 HD12 HD23 ' A' ' 70' ' ' LEU . 70.0 mt -62.12 -43.47 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.092 -1.005 . . . . 0.0 109.769 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.36 -44.2 98.36 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.6 mt -76.79 -34.26 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.613 -0.933 . . . . 0.0 109.954 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -54.81 -23.89 20.28 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.292 -0.88 . . . . 0.0 111.227 -179.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.38 -74.49 0.61 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.102 -0.999 . . . . 0.0 109.883 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 170.12 47.37 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.463 -0.773 . . . . 0.0 109.695 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.423 ' SD ' HD23 ' A' ' 73' ' ' LEU . 1.8 mtt -119.08 101.11 7.78 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.762 -1.211 . . . . 0.0 110.355 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.65 112.51 2.03 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.305 -0.872 . . . . 0.0 109.092 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 24' ' ' VAL . 13.1 p -89.96 125.11 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.443 -0.786 . . . . 0.0 110.261 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.873 ' HB2' HG22 ' A' ' 45' ' ' ILE . 87.3 m-70 -125.34 109.13 12.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.17 -0.956 . . . . 0.0 109.747 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -94.78 110.4 22.27 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.347 -0.846 . . . . 0.0 109.826 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 5.0 tttm -149.09 118.31 6.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.059 -1.026 . . . . 0.0 110.44 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 41' ' ' ILE . 46.4 t -55.57 145.38 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 120.94 -1.1 . . . . 0.0 109.053 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.867 HD23 ' HB2' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -87.63 -39.89 14.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.054 -1.029 . . . . 0.0 108.926 179.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.614 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 N--CA 1.497 1.913 0 CA-C-O 121.205 0.526 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.565 ' O ' HG13 ' A' ' 28' ' ' VAL . 2.6 mp -97.38 106.78 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.822 -1.174 . . . . 0.0 109.33 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.539 ' HA ' HG22 ' A' ' 28' ' ' VAL . 95.5 m -94.95 140.78 29.46 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.176 -0.953 . . . . 0.0 110.489 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.867 ' HB2' HD23 ' A' ' 29' ' ' LEU . . . -108.38 144.42 35.97 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 49.7 t -142.87 149.67 38.83 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.987 -1.071 . . . . 0.0 110.234 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.873 HG22 ' HB2' ' A' ' 25' ' ' HIS . 5.5 tt -129.42 148.76 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.371 -0.831 . . . . 0.0 109.094 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.563 HG21 HD21 ' A' ' 73' ' ' LEU . 3.7 m -138.13 101.03 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.206 -0.934 . . . . 0.0 109.745 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.47 -87.62 0.12 Allowed Glycine 0 N--CA 1.5 2.921 0 N-CA-C 110.021 -1.232 . . . . 0.0 110.021 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.1 p -131.13 18.5 4.96 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.269 -1.136 . . . . 0.0 110.719 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.496 ' HB ' HG23 ' A' ' 46' ' ' VAL . 32.1 mm -122.99 142.14 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.914 -1.116 . . . . 0.0 109.673 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.559 HG22 HG13 ' A' ' 45' ' ' ILE . 1.5 t -118.69 148.65 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.283 -0.886 . . . . 0.0 109.431 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.498 ' HB ' ' CG ' ' A' ' 69' ' ' MET . 1.2 m -162.82 147.23 11.58 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.494 -0.754 . . . . 0.0 109.07 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -122.88 177.9 5.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.99 . . . . 0.0 110.743 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.554 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -142.06 127.98 3.43 Favored Glycine 0 N--CA 1.501 2.975 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -91.53 36.95 0.95 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.588 -0.948 . . . . 0.0 110.583 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.041 0 O-C-N 120.896 -1.128 . . . . 0.0 110.346 179.776 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 120.945 0.402 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -64.81 -48.97 72.5 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.247 -0.908 . . . . 0.0 109.779 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 4.2 tpt85 -57.56 -44.15 85.04 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.573 -0.704 . . . . 0.0 110.128 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.554 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -68.76 -45.75 70.59 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.328 -0.858 . . . . 0.0 110.19 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.797 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -57.61 -64.65 0.83 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.297 -0.877 . . . . 0.0 110.961 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.5 mm-40 -51.19 -48.38 61.97 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.22 -0.925 . . . . 0.0 109.905 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -53.71 -37.53 63.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.274 -0.891 . . . . 0.0 110.51 179.346 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' HB ' ' A' ' 51' ' ' THR . 16.6 mtp -66.29 -53.35 37.65 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.137 -0.977 . . . . 0.0 109.255 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' A' ' 13' ' ' VAL . 10.5 mp -57.56 -41.18 80.52 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.415 -0.803 . . . . 0.0 109.212 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 67' ' ' GLU . 76.1 t -57.15 -34.79 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.332 -0.855 . . . . 0.0 109.842 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -85.27 -58.41 2.69 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.59 -0.694 . . . . 0.0 109.423 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 46' ' ' VAL . 9.5 mp -54.46 -33.18 59.17 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.421 -0.799 . . . . 0.0 111.255 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.98 24.16 0.95 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.723 -1.236 . . . . 0.0 109.449 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 -8.0 2.78 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.385 -0.822 . . . . 0.0 110.755 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.225 -0.922 . . . . 0.0 110.196 -179.544 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.681 ' O ' HG23 ' A' ' 13' ' ' VAL . 36.0 Cg_endo . . . . . 0 CA--C 1.543 0.942 0 N-CA-C 111.23 -0.335 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.542 HD11 ' HG2' ' A' ' 62' ' ' LYS . 12.4 mt -51.3 -48.12 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.32 0 O-C-N 121.483 -0.761 . . . . 0.0 110.412 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -60.55 3.21 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.577 -0.702 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -55.72 -37.71 68.78 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.211 -0.931 . . . . 0.0 110.072 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.907 HG22 HD21 ' A' ' 70' ' ' LEU . 61.5 t -62.26 -43.66 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.886 -1.134 . . . . 0.0 108.219 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -66.46 -39.92 89.1 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 24.8 mt-10 -59.88 -54.85 41.37 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.675 -0.64 . . . . 0.0 109.856 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.38 -37.95 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 120.957 -1.089 . . . . 0.0 109.988 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.571 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -65.16 -52.52 40.26 Favored Glycine 0 N--CA 1.499 2.873 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -62.11 -43.12 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.529 -0.983 . . . . 0.0 108.696 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.1 mttm -62.98 -16.33 59.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.455 -0.778 . . . . 0.0 110.499 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.81 21.77 12.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.009 -1.057 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.07 39.02 29.46 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.098 -1.001 . . . . 0.0 110.479 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.38 133.96 52.42 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.907 -1.121 . . . . 0.0 109.953 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.427 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -74.3 87.91 2.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.113 -0.992 . . . . 0.0 109.755 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.571 HG21 ' HA3' ' A' ' 17' ' ' GLY . 97.5 t -93.79 112.1 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.397 -0.814 . . . . 0.0 109.193 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.633 ' HB2' HG22 ' A' ' 45' ' ' ILE . 11.3 m-70 -131.02 126.09 35.0 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.214 -0.929 . . . . 0.0 109.378 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CE2' HG12 ' A' ' 10' ' ' ILE . 6.2 m-85 -100.54 148.32 24.93 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.32 -0.862 . . . . 0.0 110.213 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.1 110.7 3.55 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.411 -0.806 . . . . 0.0 109.381 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.623 HG21 ' HE2' ' A' ' 62' ' ' LYS . 6.7 t -86.6 139.76 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.899 -1.126 . . . . 0.0 109.303 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.591 HD12 ' CG2' ' A' ' 41' ' ' ILE . 3.4 mt -92.52 -40.34 10.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.281 -0.887 . . . . 0.0 109.719 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 40' ' ' PHE . 2.3 mpt_? . . . . . 0 N--CA 1.498 1.939 0 O-C-N 121.467 -0.77 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.46 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 25.1 m-85 . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 121.388 0.613 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.672 HG23 ' HG2' ' A' ' 54' ' ' GLU . 1.4 mt -90.03 106.2 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 120.676 -1.265 . . . . 0.0 109.543 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 88.5 m -109.72 122.76 48.2 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.153 -0.967 . . . . 0.0 110.273 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.685 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -107.63 143.95 35.37 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.203 -0.936 . . . . 0.0 108.964 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.465 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 4.1 m -142.33 152.04 42.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.854 -1.153 . . . . 0.0 110.455 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.678 HG13 HG22 ' A' ' 50' ' ' VAL . 17.5 tt -121.49 140.89 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.157 -0.964 . . . . 0.0 109.029 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.81 HG21 ' HB3' ' A' ' 73' ' ' LEU . 12.5 p -132.92 74.88 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 109.839 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.427 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 43.53 -87.76 0.01 OUTLIER Glycine 0 N--CA 1.506 3.321 0 O-C-N 121.81 -0.556 . . . . 0.0 112.007 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 46' ' ' VAL . 48.7 m -44.87 -43.27 8.69 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.836 -0.802 . . . . 0.0 112.153 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -154.47 176.8 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.46 -1.4 . . . . 0.0 111.924 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.678 HG22 HG13 ' A' ' 45' ' ' ILE . 1.5 t -120.12 148.25 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.497 ' N ' ' HE1' ' A' ' 69' ' ' MET . 4.7 m -150.29 143.31 24.84 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.175 -0.953 . . . . 0.0 110.229 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.685 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 10.5 pt-20 -111.15 169.0 9.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.113 -0.992 . . . . 0.0 109.629 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.95 106.38 0.3 Allowed Glycine 0 N--CA 1.497 2.73 0 C-N-CA 119.929 -1.129 . . . . 0.0 110.47 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.672 ' HG2' HG23 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -85.38 78.28 9.77 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.456 -1.026 . . . . 0.0 109.194 179.255 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.874 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -179.641 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.623 ' HE2' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 120.948 0.404 . . . . 0.0 110.459 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -83.31 -60.4 2.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.116 -0.99 . . . . 0.0 109.73 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -50.7 -43.37 57.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.512 -0.743 . . . . 0.0 110.749 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.82 -47.73 83.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.133 -0.98 . . . . 0.0 109.129 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.713 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -68.28 -45.88 71.87 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -53.23 -48.1 68.46 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.164 -0.96 . . . . 0.0 109.812 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.54 -42.48 92.44 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.164 -0.96 . . . . 0.0 109.604 179.283 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.497 ' HE1' ' N ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -67.66 -39.12 84.57 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.123 -0.986 . . . . 0.0 109.568 179.291 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.907 HD21 HG22 ' A' ' 13' ' ' VAL . 33.6 mt -53.92 -53.41 53.02 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.504 -0.747 . . . . 0.0 110.224 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 68' ' ' LYS . 11.0 p -63.79 -33.58 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.056 -1.027 . . . . 0.0 109.673 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -66.63 -60.44 2.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.0 110.185 179.723 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.81 ' HB3' HG21 ' A' ' 46' ' ' VAL . 1.4 pp -64.17 -26.84 68.7 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.673 -1.267 . . . . 0.0 111.175 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -83.5 -12.81 55.81 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.815 -1.178 . . . . 0.0 110.794 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.586 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -101.74 -26.09 13.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.917 -1.114 . . . . 0.0 110.06 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.406 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 5.2 mt . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 122.669 0.388 . . . . 0.0 111.236 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo . . . . . 0 CA--C 1.547 1.132 0 CA-C-O 120.97 0.321 . . . . 0.0 111.766 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.443 ' O ' HG12 ' A' ' 13' ' ' VAL . 48.5 mm -119.51 -47.76 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 120.727 -1.233 . . . . 0.0 110.731 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.3 -52.25 16.85 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.129 -0.982 . . . . 0.0 110.215 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -62.78 -44.1 97.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.319 -0.863 . . . . 0.0 110.073 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.544 HG23 ' CG ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -56.88 -39.94 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.047 -1.033 . . . . 0.0 108.678 179.112 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.515 ' HA ' HG21 ' A' ' 24' ' ' VAL . 17.6 m-70 -69.46 -41.55 76.08 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.471 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.69 -47.1 64.03 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.447 0.641 . . . . 0.0 109.289 178.556 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.32 -49.15 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.234 -0.916 . . . . 0.0 109.663 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.73 56.63 Favored Glycine 0 N--CA 1.499 2.885 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.5 mm -57.74 -47.84 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.409 -1.054 . . . . 0.0 109.458 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -50.91 -39.11 53.61 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.375 -0.828 . . . . 0.0 110.121 179.462 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -99.02 24.58 7.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.276 -0.89 . . . . 0.0 110.253 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 m120 52.19 33.36 12.26 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.158 -0.964 . . . . 0.0 110.451 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.0 mtm -103.07 120.04 39.96 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.069 -1.019 . . . . 0.0 109.583 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.42 125.12 23.15 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.153 -0.967 . . . . 0.0 109.829 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.574 HG13 HG12 ' A' ' 46' ' ' VAL . 39.4 t -106.22 118.63 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.36 -0.838 . . . . 0.0 109.256 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.633 ' HB2' HG22 ' A' ' 45' ' ' ILE . 34.7 m-70 -129.89 126.52 38.15 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.092 -1.005 . . . . 0.0 110.38 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CD2' ' HB2' ' A' ' 44' ' ' CYS . 23.1 m-85 -101.66 145.54 28.95 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.391 -0.818 . . . . 0.0 109.536 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -155.52 124.53 6.15 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.149 -0.969 . . . . 0.0 110.261 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 80.0 t -75.08 148.26 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.059 -1.026 . . . . 0.0 109.029 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.894 HD21 ' CB ' ' A' ' 43' ' ' ALA . 5.2 mt -96.66 -42.12 8.18 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.151 -0.968 . . . . 0.0 109.68 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.498 1.942 0 CA-C-O 121.584 0.707 . . . . 0.0 110.598 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 N--CA 1.499 2.024 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.628 ' CG2' HD12 ' A' ' 29' ' ' LEU . 22.4 mt -81.7 115.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.849 -1.157 . . . . 0.0 110.296 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.51 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 62.6 m -112.72 130.0 56.22 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.179 -0.95 . . . . 0.0 109.821 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.894 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -109.1 166.26 10.98 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.147 -0.971 . . . . 0.0 110.15 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 26' ' ' PHE . 29.1 t -159.64 152.47 21.65 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.332 -0.855 . . . . 0.0 110.34 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.633 HG22 ' HB2' ' A' ' 25' ' ' HIS . 12.6 tt -129.08 142.22 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.212 -0.93 . . . . 0.0 109.42 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.612 HG22 ' CE ' ' A' ' 69' ' ' MET . 16.4 m -134.22 105.34 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.166 -0.959 . . . . 0.0 109.956 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.57 -90.97 0.16 Allowed Glycine 0 N--CA 1.501 2.984 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.4 p -130.48 23.58 5.12 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.314 -1.109 . . . . 0.0 110.455 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mp -130.04 136.69 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.967 -1.083 . . . . 0.0 109.846 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.432 HG22 HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -117.75 143.7 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.187 -0.945 . . . . 0.0 109.499 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.461 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 51.1 m -157.61 143.8 17.64 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.44 -0.787 . . . . 0.0 109.244 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.67 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -121.82 -174.38 2.86 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.018 -1.051 . . . . 0.0 110.466 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.31 117.18 0.83 Allowed Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.28 72.97 5.9 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.252 -1.146 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.92 0 O-C-N 120.854 -1.154 . . . . 0.0 111.024 -179.449 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt . . . . . 0 N--CA 1.499 1.983 0 CA-C-O 120.924 0.392 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 11.4 ttpp -73.8 -63.74 1.15 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -52.1 -40.05 60.69 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.396 -0.815 . . . . 0.0 110.543 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.15 -51.86 67.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.203 -0.936 . . . . 0.0 109.24 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.99 76.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.257 -0.902 . . . . 0.0 109.751 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.462 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 46.0 mt-10 -54.65 -52.14 63.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.235 -0.916 . . . . 0.0 109.375 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' NZ ' ' HG3' ' A' ' 72' ' ' GLU . 7.6 tptt -56.69 -43.93 80.96 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.372 -0.83 . . . . 0.0 109.265 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.612 ' CE ' HG22 ' A' ' 46' ' ' VAL . 1.6 ttt -62.88 -54.99 30.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.514 -0.741 . . . . 0.0 110.215 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.544 ' CG ' HG23 ' A' ' 13' ' ' VAL . 50.3 mt -63.68 -50.08 70.64 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.074 -1.016 . . . . 0.0 110.712 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.8 t -45.69 -46.8 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 121.377 -0.827 . . . . 0.0 109.848 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.409 ' HG3' ' NZ ' ' A' ' 68' ' ' LYS . 1.2 mt-10 -82.27 -45.83 14.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.044 -1.035 . . . . 0.0 110.331 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 73' ' ' LEU . 70.2 mt -56.36 -28.62 59.64 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.059 -1.025 . . . . 0.0 110.242 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -87.4 -11.21 49.91 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.029 -1.045 . . . . 0.0 109.48 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -104.59 -24.18 13.02 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.402 -0.811 . . . . 0.0 109.953 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 CA--C 1.554 1.116 0 O-C-N 121.677 -0.639 . . . . 0.0 110.674 179.507 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.538 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 35.8 Cg_endo . . . . . 0 CA--C 1.544 1.002 0 N-CA-C 112.601 0.193 . . . . 0.0 112.601 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' SER . 41.2 mm -117.51 -78.28 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.492 -1.38 . . . . 0.0 111.819 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -37.43 -65.05 0.34 Allowed 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.332 -0.855 . . . . 0.0 111.218 -178.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -49.18 -39.64 30.17 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.358 -0.839 . . . . 0.0 110.626 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.669 HG22 HD11 ' A' ' 70' ' ' LEU . 36.2 t -63.87 -46.45 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 120.9 -1.125 . . . . 0.0 108.448 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.573 ' O ' HG22 ' A' ' 18' ' ' ILE . 15.6 m-70 -61.18 -50.3 73.73 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 6.3 mt-10 -52.21 -48.82 64.88 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 16' ' ' ILE . 15.0 mm -62.81 -38.49 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.207 -0.933 . . . . 0.0 109.17 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.34 -51.77 55.64 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER -74.59 -39.68 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 121.229 -1.159 . . . . 0.0 109.248 179.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HB3' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -59.47 -28.45 67.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.017 -1.052 . . . . 0.0 110.196 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.555 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -105.15 -60.63 1.59 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.481 -0.762 . . . . 0.0 109.828 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER 154.97 -1.44 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.883 0 O-C-N 122.099 -0.376 . . . . 0.0 111.222 179.573 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.423 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 2.6 mtt -72.56 147.55 45.8 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.35 -1.469 . . . . 0.0 110.651 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.605 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 42.2 p -65.86 -57.94 6.76 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.48 -0.763 . . . . 0.0 110.931 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.587 ' HA ' HG22 ' A' ' 46' ' ' VAL . 51.8 t 66.23 87.89 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-O 121.873 0.844 . . . . 0.0 109.812 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.606 ' HB2' HG22 ' A' ' 45' ' ' ILE . 6.6 m-70 -126.98 124.14 38.76 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.842 -1.161 . . . . 0.0 109.687 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 76.0 m-85 -112.96 132.44 55.35 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.318 -0.864 . . . . 0.0 110.025 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 6.9 tttm -148.76 124.31 10.38 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.087 -1.008 . . . . 0.0 110.183 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.737 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 2.4 p -75.62 153.75 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.801 -1.187 . . . . 0.0 110.432 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 43' ' ' ALA . 1.7 mt -113.97 -35.3 5.14 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.166 -0.959 . . . . 0.0 109.827 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.865 ' HB2' HG22 ' A' ' 41' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.891 0 O-C-N 121.45 -0.781 . . . . 0.0 109.477 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 . . . . . 0 N--CA 1.495 1.784 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.865 HG22 ' HB2' ' A' ' 30' ' ' ARG . 21.5 tt -106.72 121.88 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.45 -1.406 . . . . 0.0 110.281 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.737 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 27.5 m -121.92 128.53 51.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.428 -0.795 . . . . 0.0 109.517 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.587 ' HB3' HD21 ' A' ' 29' ' ' LEU . . . -101.06 150.0 23.36 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.243 -0.911 . . . . 0.0 109.767 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.2 p -147.09 144.23 28.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.082 -1.011 . . . . 0.0 110.244 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.606 HG22 ' HB2' ' A' ' 25' ' ' HIS . 17.1 tt -128.69 144.57 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.328 -0.857 . . . . 0.0 110.105 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 24' ' ' VAL . 61.3 t -134.89 104.86 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.115 -0.991 . . . . 0.0 109.521 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.48 -86.55 0.42 Allowed Glycine 0 N--CA 1.499 2.878 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -138.87 20.33 2.66 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.378 -1.072 . . . . 0.0 110.381 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.72 HD13 HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -123.25 141.34 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.986 -1.071 . . . . 0.0 108.864 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.482 HG22 HG13 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -123.25 146.93 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.261 -0.9 . . . . 0.0 109.797 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.594 HG21 ' HD3' ' A' ' 68' ' ' LYS . 1.2 m -148.01 124.61 11.08 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.503 -0.748 . . . . 0.0 109.413 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -88.43 159.05 18.17 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.362 -0.836 . . . . 0.0 110.918 -179.429 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.885 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -132.58 96.27 0.31 Allowed Glycine 0 N--CA 1.498 2.805 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -85.84 30.77 0.64 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.44 -1.035 . . . . 0.0 111.259 -179.269 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 3.393 0 O-C-N 120.863 -1.148 . . . . 0.0 110.364 179.166 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.941 0 CA-C-O 121.705 0.764 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.77 -63.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -38.36 19.32 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.442 -0.786 . . . . 0.0 110.168 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.885 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -65.66 -39.59 91.52 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.118 -0.989 . . . . 0.0 109.452 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . . . -76.87 -57.0 4.1 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.378 -0.826 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.768 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -50.16 -52.06 38.44 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.305 -0.872 . . . . 0.0 109.382 179.602 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.594 ' HD3' HG21 ' A' ' 51' ' ' THR . 1.9 tttm -53.53 -47.81 69.61 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.569 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -54.86 -49.23 71.64 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.449 -0.782 . . . . 0.0 109.556 178.774 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.669 HD11 HG22 ' A' ' 13' ' ' VAL . 2.2 mt -63.46 -35.07 79.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.715 -1.24 . . . . 0.0 108.977 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 67' ' ' GLU . 94.4 t -58.37 -55.02 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.388 -0.82 . . . . 0.0 109.149 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -67.83 -42.69 81.06 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.162 -0.961 . . . . 0.0 109.941 179.09 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 49' ' ' ILE . 76.4 mt -60.53 -30.67 69.89 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.015 -1.053 . . . . 0.0 110.743 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -81.42 6.61 14.01 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.896 -1.127 . . . . 0.0 110.063 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.21 4.32 6.38 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.081 -1.012 . . . . 0.0 110.99 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.159 -179.782 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.527 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 36.1 Cg_endo . . . . . 0 CA--C 1.542 0.906 0 N-CA-C 110.007 -0.805 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' A' ' 9' ' ' PRO . 87.4 mt 69.57 -58.78 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 121.353 -0.842 . . . . 0.0 109.895 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -54.52 -68.35 0.19 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.276 -0.89 . . . . 0.0 109.501 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -54.18 -25.93 25.29 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.257 -0.902 . . . . 0.0 109.701 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.833 HG22 HD21 ' A' ' 70' ' ' LEU . 40.9 t -69.41 -39.61 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.895 -1.128 . . . . 0.0 108.086 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.6 ' CD2' HG11 ' A' ' 24' ' ' VAL . 6.7 m-70 -65.56 -44.83 85.57 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 15.5 mt-10 -61.99 -59.31 5.29 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.189 0.518 . . . . 0.0 110.106 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.776 HD13 ' CD1' ' A' ' 73' ' ' LEU . 9.7 tt -63.45 -37.64 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.261 -0.899 . . . . 0.0 109.634 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.33 -57.37 20.04 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.3 mm -59.14 -46.75 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.285 -1.126 . . . . 0.0 108.925 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 3.8 tttm -54.35 -32.06 55.92 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.481 -0.762 . . . . 0.0 110.646 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -105.46 23.19 14.18 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.071 -1.018 . . . . 0.0 110.295 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 54.96 36.58 27.17 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.017 -1.052 . . . . 0.0 109.729 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.652 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 9.1 mtt -113.46 109.95 19.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.972 . . . . 0.0 110.067 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 m -70.3 104.95 2.82 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.964 -1.085 . . . . 0.0 109.226 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.6 HG11 ' CD2' ' A' ' 14' ' ' HIS . 7.4 p -68.21 98.86 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 CA-C-O 121.725 0.774 . . . . 0.0 110.28 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.872 ' HB2' HG22 ' A' ' 45' ' ' ILE . 29.8 m-70 -103.25 97.47 7.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.986 -1.072 . . . . 0.0 110.055 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -90.03 119.61 30.52 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.305 -0.872 . . . . 0.0 109.379 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 22.7 tttm -149.8 139.47 21.69 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.864 -1.147 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 93.6 t -80.31 148.0 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.203 -0.936 . . . . 0.0 109.005 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 43' ' ' ALA . 9.2 mt -81.03 -40.55 24.05 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.131 -0.98 . . . . 0.0 108.767 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.953 0 O-C-N 121.785 -0.572 . . . . 0.0 109.548 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.432 ' CB ' HD12 ' A' ' 41' ' ' ILE . 4.4 m-85 . . . . . 0 N--CA 1.503 2.197 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.487 HG21 HD12 ' A' ' 29' ' ' LEU . 3.2 mp -142.28 107.94 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.761 -1.212 . . . . 0.0 110.707 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 1.7 m -104.45 121.7 43.98 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.766 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -107.66 135.28 49.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.383 -0.823 . . . . 0.0 109.869 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.49 ' HB3' ' HG3' ' A' ' 69' ' ' MET . 42.5 t -120.99 121.03 37.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.234 -0.916 . . . . 0.0 109.531 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.872 HG22 ' HB2' ' A' ' 25' ' ' HIS . 11.5 tt -108.37 145.01 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.138 -0.976 . . . . 0.0 109.911 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 22' ' ' MET . 2.9 m -134.17 111.01 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.56 -0.713 . . . . 0.0 109.483 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.49 -82.35 0.28 Allowed Glycine 0 N--CA 1.5 2.948 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -142.82 16.98 1.97 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.229 -1.159 . . . . 0.0 111.014 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -135.04 138.78 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.931 -1.106 . . . . 0.0 109.042 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.663 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 2.6 p -123.78 156.76 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.84 -1.163 . . . . 0.0 111.056 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' CG2' ' A' ' 50' ' ' VAL . 8.4 m -125.21 98.66 5.74 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 8.0 mt-10 -83.93 141.24 31.4 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.267 -0.896 . . . . 0.0 109.441 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 54' ' ' GLU . . . 176.82 -124.87 0.98 Allowed Glycine 0 N--CA 1.497 2.707 0 C-N-CA 119.502 -1.332 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.574 ' HA ' ' HG3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER 82.73 -148.91 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.032 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.892 0 C-N-CA 119.52 -1.324 . . . . 0.0 111.167 -178.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? . . . . . 0 N--CA 1.503 2.21 0 CA-C-O 122.251 1.024 . . . . 0.0 108.697 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 14.0 tttm -167.4 -60.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.574 ' HG3' ' HA ' ' A' ' 54' ' ' GLU . 15.7 tpt180 -44.98 -49.99 10.89 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.224 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . . . -69.62 -48.63 59.35 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.949 -1.094 . . . . 0.0 110.47 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 9' ' ' PRO . . . -57.82 -43.63 85.88 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.167 -0.958 . . . . 0.0 110.481 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 49.2 mt-10 -58.54 -50.85 72.27 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.591 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.31 -37.52 77.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.444 -0.785 . . . . 0.0 109.465 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.526 ' CE ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -64.23 -44.16 92.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.993 -1.067 . . . . 0.0 109.399 179.407 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.833 HD21 HG22 ' A' ' 13' ' ' VAL . 32.5 mt -54.77 -53.34 56.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.303 -0.873 . . . . 0.0 110.248 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 68' ' ' LYS . 9.0 m -61.1 -28.96 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 120.952 -1.092 . . . . 0.0 110.026 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.627 ' HA ' ' NZ ' ' A' ' 75' ' ' LYS . 5.3 mm-40 -78.35 -49.33 13.78 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.679 -1.263 . . . . 0.0 110.176 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.776 ' CD1' HD13 ' A' ' 16' ' ' ILE . 1.5 pp -70.87 -22.11 62.33 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.978 -1.076 . . . . 0.0 110.901 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -9.99 59.06 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.941 -1.099 . . . . 0.0 110.824 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.627 ' NZ ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -90.24 -24.88 20.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.978 -1.076 . . . . 0.0 110.135 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 O-C-N 121.479 -0.763 . . . . 0.0 110.302 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.434 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 36.5 Cg_endo . . . . . 0 N--CA 1.484 0.955 0 CA-C-O 120.638 0.183 . . . . 0.0 112.182 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -130.16 -55.72 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.895 -1.128 . . . . 0.0 110.143 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -69.04 0.15 Allowed 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.599 -0.688 . . . . 0.0 110.489 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.15 -37.55 54.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.317 -0.864 . . . . 0.0 110.594 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.998 HG22 HD21 ' A' ' 70' ' ' LEU . 58.1 t -58.8 -40.65 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.611 -1.306 . . . . 0.0 108.08 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -70.02 -49.15 54.26 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -55.78 -43.19 76.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.602 -0.686 . . . . 0.0 110.672 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -81.24 -39.63 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.837 -1.164 . . . . 0.0 109.101 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.516 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -57.4 -55.5 30.1 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.6 mt -56.89 -50.01 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.373 -1.075 . . . . 0.0 109.419 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -37.17 83.67 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.286 -0.884 . . . . 0.0 110.628 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -87.34 20.03 2.99 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.88 -1.138 . . . . 0.0 110.921 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.2 34.86 24.54 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.069 -1.019 . . . . 0.0 110.441 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.471 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 14.1 mtp -100.48 138.25 37.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.811 -1.181 . . . . 0.0 109.79 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -57.32 -51.24 70.19 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.442 -0.786 . . . . 0.0 110.46 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.516 HG21 ' HA3' ' A' ' 17' ' ' GLY . 40.2 t 62.95 72.83 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-O 121.729 0.776 . . . . 0.0 109.326 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.647 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 4.6 m-70 -119.77 120.74 37.43 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.776 -1.202 . . . . 0.0 109.831 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -107.1 125.16 50.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.484 -0.76 . . . . 0.0 109.294 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -142.81 129.63 20.5 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.136 -0.977 . . . . 0.0 109.874 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 t -87.08 143.45 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.985 -1.072 . . . . 0.0 108.819 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.585 HD12 HG12 ' A' ' 41' ' ' ILE . 3.2 mt -91.39 -37.27 13.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.242 -0.911 . . . . 0.0 109.646 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.739 0 O-C-N 121.518 -0.738 . . . . 0.0 109.822 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 . . . . . 0 N--CA 1.498 1.944 0 CA-C-O 121.267 0.556 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.585 HG12 HD12 ' A' ' 29' ' ' LEU . 1.6 tp -114.11 98.77 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.009 -1.057 . . . . 0.0 109.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.93 ' HG1' ' N ' ' A' ' 62' ' ' LYS . 12.6 m -87.83 120.24 28.95 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.263 -0.898 . . . . 0.0 110.515 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.536 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -103.02 140.94 36.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 108.555 178.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.1 p -136.64 135.72 38.53 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.794 -1.192 . . . . 0.0 110.337 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.788 ' HB ' HG13 ' A' ' 50' ' ' VAL . 17.3 tt -123.01 133.83 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.182 -0.949 . . . . 0.0 109.554 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 38.7 t -129.44 102.55 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.167 -0.958 . . . . 0.0 109.722 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.33 -110.83 3.47 Favored Glycine 0 N--CA 1.498 2.828 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -109.67 20.36 18.2 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.393 -1.063 . . . . 0.0 110.685 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 91.9 mt -127.29 134.78 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.882 -1.136 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.788 HG13 ' HB ' ' A' ' 45' ' ' ILE . 1.1 t -122.94 145.29 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.165 -0.959 . . . . 0.0 109.248 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.9 m -141.67 135.39 29.84 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.473 -0.767 . . . . 0.0 110.121 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -100.16 142.95 30.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.352 -0.842 . . . . 0.0 109.584 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -126.17 90.16 0.37 Allowed Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -68.88 74.4 0.29 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.509 -0.995 . . . . 0.0 110.408 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.862 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 179.389 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.93 ' N ' ' HG1' ' A' ' 42' ' ' THR . 21.2 mttm . . . . . 0 N--CA 1.5 2.051 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 36.4 tttm -87.35 -56.62 3.28 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.136 -0.977 . . . . 0.0 109.171 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -47.61 -45.53 27.68 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.714 -0.616 . . . . 0.0 111.579 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.481 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -64.41 -39.21 93.41 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.161 -0.962 . . . . 0.0 110.697 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 9' ' ' PRO . . . -71.45 -49.16 44.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.27 -0.894 . . . . 0.0 109.914 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 34.0 mt-10 -49.78 -54.18 20.65 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.645 -0.659 . . . . 0.0 110.001 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.572 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 2.9 tttp -56.8 -45.94 81.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.526 -0.734 . . . . 0.0 109.31 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.1 tpp -49.37 -50.74 38.77 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.036 -1.04 . . . . 0.0 109.789 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.998 HD21 HG22 ' A' ' 13' ' ' VAL . 64.3 mt -66.14 -40.63 90.76 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.14 -0.975 . . . . 0.0 109.847 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.95 -45.74 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.377 -0.827 . . . . 0.0 110.345 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 1.6 mm-40 -72.57 -47.52 47.41 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.232 -0.917 . . . . 0.0 109.296 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 73' ' ' LEU . 59.6 mt -58.25 -35.5 71.83 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.952 -1.093 . . . . 0.0 110.314 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -81.23 -15.52 55.39 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.919 -1.113 . . . . 0.0 109.887 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HE3' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -98.59 -35.53 10.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.063 -1.023 . . . . 0.0 109.93 179.492 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 117.684 -1.15 . . . . 0.0 109.992 -179.492 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.489 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 34.8 Cg_endo . . . . . 0 CA--C 1.538 0.693 0 N-CA-C 110.714 -0.533 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.521 HG13 ' HB2' ' A' ' 66' ' ' ALA . 3.8 mt 69.67 -60.58 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.737 -0.602 . . . . 0.0 110.209 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -74.95 0.09 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.541 -0.725 . . . . 0.0 110.091 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -50.5 -35.93 31.55 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.997 -1.064 . . . . 0.0 109.62 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.103 HG22 HD21 ' A' ' 70' ' ' LEU . 98.0 t -62.21 -46.2 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.264 -0.897 . . . . 0.0 108.844 178.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -65.72 -39.7 91.45 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.03 -52.35 65.33 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.885 -0.509 . . . . 0.0 110.643 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.437 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 1.4 pp -76.3 -32.25 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.691 -1.255 . . . . 0.0 109.955 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.584 ' O ' ' HB3' ' A' ' 22' ' ' MET . . . -64.33 -52.17 46.14 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 107.617 -2.193 . . . . 0.0 107.617 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 18' ' ' ILE . 18.0 mt -93.87 51.78 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -86.41 101.72 13.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.011 -1.68 . . . . 0.0 111.76 -177.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 43.1 mtt85 40.25 39.12 0.62 Allowed 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.668 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 20' ' ' ARG . 1.2 t-20 166.32 -67.94 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.514 0 O-C-N 120.891 -1.131 . . . . 0.0 111.393 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.584 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 3.6 mtm -58.02 165.37 1.89 Allowed 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.785 0.803 . . . . 0.0 111.105 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -123.66 151.57 42.93 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.257 -0.902 . . . . 0.0 109.512 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 46' ' ' VAL . 69.4 t -131.4 124.76 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.329 -0.857 . . . . 0.0 109.578 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.76 ' HB2' HG22 ' A' ' 45' ' ' ILE . 75.8 m-70 -122.92 125.41 45.27 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.267 -0.896 . . . . 0.0 109.617 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.404 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 4.7 m-85 -123.39 108.07 12.31 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.377 -0.827 . . . . 0.0 109.8 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -132.15 135.37 46.33 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.098 -1.001 . . . . 0.0 110.184 179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.614 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 3.5 t -76.21 142.07 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.379 -0.825 . . . . 0.0 109.084 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.711 HD21 ' CB ' ' A' ' 43' ' ' ALA . 7.7 mt -86.18 -35.32 20.17 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.049 -1.032 . . . . 0.0 108.539 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HB2' ' HB2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.616 -0.678 . . . . 0.0 109.888 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.413 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 24.7 m-85 . . . . . 0 N--CA 1.504 2.256 0 CA-C-O 120.681 0.276 . . . . 0.0 111.634 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.45 130.5 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.593 -1.317 . . . . 0.0 110.494 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.671 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -123.1 133.27 54.3 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.62 -0.675 . . . . 0.0 109.436 179.369 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.711 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -105.5 120.11 40.81 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 20.5 p -120.92 149.37 42.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.059 -1.026 . . . . 0.0 110.882 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.76 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.9 tt -131.82 142.24 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.188 -0.945 . . . . 0.0 109.806 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 24' ' ' VAL . 95.8 t -135.4 113.59 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.531 -0.73 . . . . 0.0 109.24 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.527 ' HA3' ' SD ' ' A' ' 22' ' ' MET . . . 59.6 -99.74 0.16 Allowed Glycine 0 N--CA 1.502 3.04 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.3 m -122.7 23.96 9.31 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.199 -1.177 . . . . 0.0 110.635 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 90.2 mt -130.26 137.16 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 120.934 -1.103 . . . . 0.0 109.515 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.41 146.66 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.182 -0.949 . . . . 0.0 108.894 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.64 HG21 ' CA ' ' A' ' 69' ' ' MET . 27.3 m -146.2 125.08 12.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.401 -0.812 . . . . 0.0 110.273 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HG2' ' HA ' ' A' ' 43' ' ' ALA . 22.0 mt-10 -111.1 151.02 28.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.967 -1.083 . . . . 0.0 109.721 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 54' ' ' GLU . . . -174.81 -110.85 0.26 Allowed Glycine 0 N--CA 1.5 2.901 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.671 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 1.1 tp10 85.72 -82.9 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.402 0 O-C-N 122.109 -0.642 . . . . 0.0 109.921 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.141 0 O-C-N 120.789 -1.194 . . . . 0.0 110.213 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 10' ' ' ILE . 37.8 mmtt . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 13.5 mtpt -67.76 -56.14 10.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.578 -0.702 . . . . 0.0 109.108 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.579 ' HB3' ' O ' ' A' ' 54' ' ' GLU . 8.7 ttt-85 -63.48 -41.21 98.59 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.394 -0.816 . . . . 0.0 110.615 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.58 75.09 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.045 -1.034 . . . . 0.0 109.363 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.521 ' HB2' HG13 ' A' ' 10' ' ' ILE . . . -66.82 -50.89 61.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.347 -0.846 . . . . 0.0 109.762 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -56.02 -48.93 75.02 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.398 -0.814 . . . . 0.0 109.284 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 6.4 tmtt? -52.73 -42.72 65.15 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.303 -0.873 . . . . 0.0 109.515 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.64 ' CA ' HG21 ' A' ' 51' ' ' THR . 3.8 ttt -71.66 -38.33 70.69 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.852 -1.155 . . . . 0.0 109.152 178.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.103 HD21 HG22 ' A' ' 13' ' ' VAL . 24.5 mt -59.67 -50.07 75.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.143 -0.973 . . . . 0.0 108.956 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.455 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 25.2 m -66.42 -22.76 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 120.934 -1.104 . . . . 0.0 110.214 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.73 -53.96 6.59 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.481 HD11 ' HG2' ' A' ' 69' ' ' MET . 20.6 mt -62.81 -32.4 73.58 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.68 -0.637 . . . . 0.0 110.73 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -77.77 11.76 2.0 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.826 -1.171 . . . . 0.0 111.245 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -127.77 -7.19 5.6 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.747 -1.221 . . . . 0.0 111.629 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.0 110.07 -179.643 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 CA--C 1.539 0.742 0 CA-C-O 120.835 0.265 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.7 mt -131.57 -67.17 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.748 -1.22 . . . . 0.0 111.013 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 12' ' ' GLN . 66.2 p -42.72 -66.39 0.37 Allowed 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.224 -0.923 . . . . 0.0 110.608 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.489 ' HA ' ' CD ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -52.3 -40.27 61.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.314 -0.866 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.869 HG22 ' HG ' ' A' ' 70' ' ' LEU . 40.4 t -59.58 -43.18 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -64.53 -45.17 88.32 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.489 ' CD ' ' HA ' ' A' ' 12' ' ' GLN . 28.0 mt-10 -55.04 -50.16 69.79 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.532 -0.73 . . . . 0.0 109.182 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.69 -45.78 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.312 -0.868 . . . . 0.0 109.401 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.407 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -56.24 -53.55 42.03 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.8 -44.91 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.469 -1.018 . . . . 0.0 108.99 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.5 tptt -54.26 -45.6 72.43 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.336 -0.852 . . . . 0.0 109.81 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HD2' ' SD ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -91.65 14.78 14.18 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.904 . . . . 0.0 110.364 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 51.34 38.14 20.8 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.131 -0.98 . . . . 0.0 109.912 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.406 ' SD ' ' HD2' ' A' ' 20' ' ' ARG . 3.6 mtt -97.71 134.52 40.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.209 -0.932 . . . . 0.0 110.129 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.537 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -73.74 79.17 1.56 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.041 -1.037 . . . . 0.0 109.014 179.115 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.471 HG12 ' HE1' ' A' ' 26' ' ' PHE . 15.8 t -88.44 97.98 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.517 -0.739 . . . . 0.0 109.32 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.537 ' NE2' HG22 ' A' ' 23' ' ' THR . 11.4 m-70 -132.15 116.46 17.02 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.08 -1.012 . . . . 0.0 109.803 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.661 ' HB3' ' CB ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -130.69 154.82 47.53 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.982 -1.074 . . . . 0.0 110.712 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.98 151.81 6.15 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.448 -0.782 . . . . 0.0 109.868 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.639 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 4.8 m -76.33 150.83 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.033 -1.042 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 43' ' ' ALA . 6.5 mt -97.08 -42.8 7.69 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.164 -0.96 . . . . 0.0 109.027 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 tpt85 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.532 -0.73 . . . . 0.0 109.41 179.689 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.455 ' HB3' ' OE1' ' A' ' 54' ' ' GLU . 22.4 m-85 . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 121.472 0.653 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.418 HG23 ' HA2' ' A' ' 53' ' ' GLY . 3.2 mp -143.58 105.62 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.426 -0.796 . . . . 0.0 109.048 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 1.1 m -108.31 124.7 50.73 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.087 -1.008 . . . . 0.0 110.571 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.767 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -80.8 122.68 27.48 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.661 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . 19.3 p -123.21 136.27 54.66 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.167 -0.958 . . . . 0.0 111.374 -178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.702 ' CG1' HG13 ' A' ' 50' ' ' VAL . 1.6 mt -117.51 134.8 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.737 HG22 ' HE3' ' A' ' 69' ' ' MET . 5.6 m -133.24 88.3 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-O 121.794 0.806 . . . . 0.0 109.065 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.514 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 49.38 75.02 0.22 Allowed Glycine 0 N--CA 1.501 3.027 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 t 79.17 -43.14 0.31 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.475 -1.015 . . . . 0.0 111.369 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.706 ' HB ' HG23 ' A' ' 46' ' ' VAL . 43.5 mt -71.98 135.52 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.608 -1.308 . . . . 0.0 109.204 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.702 HG13 ' CG1' ' A' ' 45' ' ' ILE . 2.1 t -135.43 148.26 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 120.826 -1.171 . . . . 0.0 110.718 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.71 157.1 34.52 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 4.3 pt-20 -147.55 159.09 44.14 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.403 -1.435 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' HA2' HG23 ' A' ' 41' ' ' ILE . . . 127.2 166.53 12.15 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.842 ' HG3' ' HB2' ' A' ' 65' ' ' ALA . 1.5 tt0 -160.43 -163.66 1.13 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.986 -1.302 . . . . 0.0 111.051 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.439 ' HA2' ' NH1' ' A' ' 64' ' ' ARG . . . . . . . . 0 N--CA 1.5 2.965 0 O-C-N 121.35 -0.844 . . . . 0.0 111.295 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.8 pttt . . . . . 0 N--CA 1.504 2.238 0 CA-C-O 120.907 0.384 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.604 ' CE ' ' HG3' ' A' ' 67' ' ' GLU . 1.6 tptm -60.95 -39.07 88.08 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.041 -1.037 . . . . 0.0 109.796 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.439 ' NH1' ' HA2' ' A' ' 55' ' ' GLY . 12.7 ttt-85 -77.23 -46.54 22.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.141 -0.974 . . . . 0.0 110.325 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.842 ' HB2' ' HG3' ' A' ' 54' ' ' GLU . . . -67.29 -47.51 70.4 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.236 -0.915 . . . . 0.0 110.665 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.03 -55.23 11.44 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.93 -1.106 . . . . 0.0 111.333 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.604 ' HG3' ' CE ' ' A' ' 63' ' ' LYS . 1.4 mt-10 -55.3 -40.21 70.82 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.838 -1.164 . . . . 0.0 109.915 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -57.84 -47.84 81.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.02 -1.05 . . . . 0.0 108.986 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.737 ' HE3' HG22 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -64.11 -47.16 81.08 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.339 -0.85 . . . . 0.0 109.3 178.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.869 ' HG ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -60.55 -38.5 84.71 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.265 -0.897 . . . . 0.0 110.408 179.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 67' ' ' GLU . 55.1 t -62.24 -50.83 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.182 -0.948 . . . . 0.0 109.624 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -46.4 89.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.247 -0.908 . . . . 0.0 109.316 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.435 HD11 HG21 ' A' ' 46' ' ' VAL . 92.9 mt -72.32 -8.74 56.54 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.302 -0.873 . . . . 0.0 110.776 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -15.86 63.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.693 -1.255 . . . . 0.0 110.27 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.52 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -122.33 -5.12 8.84 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.104 -0.998 . . . . 0.0 111.022 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.0 mt . . . . . 0 N--CA 1.49 1.558 0 O-C-N 120.594 -1.316 . . . . 0.0 110.578 -179.146 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.678 ' O ' HG23 ' A' ' 13' ' ' VAL . 36.6 Cg_endo . . . . . 0 CA--C 1.545 1.041 0 CA-C-O 120.566 0.153 . . . . 0.0 112.142 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.0 mt -48.44 -49.2 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 120.948 -1.095 . . . . 0.0 110.061 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 p -53.99 -60.31 3.49 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.377 -0.827 . . . . 0.0 109.45 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -53.54 -41.21 66.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.609 -0.682 . . . . 0.0 110.159 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.837 HG22 HD21 ' A' ' 70' ' ' LEU . 42.8 t -59.88 -45.27 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.94 -1.1 . . . . 0.0 108.378 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -63.81 -44.01 94.54 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 26.5 mt-10 -58.26 -48.23 81.08 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.656 -0.652 . . . . 0.0 109.499 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -59.26 -46.61 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.326 -0.859 . . . . 0.0 109.621 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 -48.61 80.26 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.642 HG13 HG21 ' A' ' 24' ' ' VAL . 43.5 mt -62.46 -49.42 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.417 -1.049 . . . . 0.0 109.632 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 4.6 tttp -54.29 -39.78 67.27 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.358 -0.839 . . . . 0.0 110.197 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' NH2' ' O ' ' A' ' 73' ' ' LEU . 6.3 mtm180 -91.12 18.76 6.45 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.109 -0.994 . . . . 0.0 110.341 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 52.17 38.62 24.92 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.13 -0.981 . . . . 0.0 110.181 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.536 ' SD ' HD22 ' A' ' 73' ' ' LEU . 19.7 mtp -101.64 138.73 38.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.045 -1.034 . . . . 0.0 109.9 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.544 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -56.91 110.24 0.78 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.238 -0.914 . . . . 0.0 109.824 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.642 HG21 HG13 ' A' ' 18' ' ' ILE . 41.3 t -81.92 69.37 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.869 -1.144 . . . . 0.0 109.063 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.52 ' HB2' HG22 ' A' ' 45' ' ' ILE . 10.0 m-70 -85.44 84.94 7.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.93 -1.107 . . . . 0.0 110.339 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.453 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 5.8 m-85 -109.87 115.21 29.4 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.251 -0.905 . . . . 0.0 108.749 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CE ' ' O ' ' A' ' 28' ' ' VAL . 2.2 ttpt -154.58 141.73 19.41 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.861 -1.15 . . . . 0.0 110.765 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.664 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 17.8 t -86.3 142.16 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.927 -1.108 . . . . 0.0 109.343 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.428 HD12 ' CG2' ' A' ' 41' ' ' ILE . 2.3 mt -95.05 -41.45 9.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.252 -0.905 . . . . 0.0 109.952 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HB2' HD12 ' A' ' 41' ' ' ILE . 11.3 mtt180 . . . . . 0 N--CA 1.497 1.912 0 O-C-N 121.392 -0.817 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 6.5 m-85 . . . . . 0 N--CA 1.493 1.713 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.598 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 55.3 mt -97.67 91.36 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 120.794 -1.191 . . . . 0.0 110.648 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.664 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 55.1 m -95.08 128.74 42.14 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.199 -0.938 . . . . 0.0 108.85 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.752 ' HB1' ' O ' ' A' ' 51' ' ' THR . . . -113.68 168.11 10.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.892 -1.13 . . . . 0.0 111.921 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.645 ' HB2' HG11 ' A' ' 50' ' ' VAL . 14.1 m -152.79 159.87 43.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.72 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -170.2 143.71 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.366 -0.833 . . . . 0.0 110.845 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.746 HG21 HD21 ' A' ' 73' ' ' LEU . 3.7 m -134.64 95.14 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.69 -86.8 0.16 Allowed Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 p -131.47 25.95 4.78 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.269 -1.136 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.648 ' HB ' HG23 ' A' ' 46' ' ' VAL . 53.2 mt -124.89 150.29 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 120.915 -1.116 . . . . 0.0 109.685 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.766 ' O ' HG23 ' A' ' 51' ' ' THR . 17.1 t 71.33 179.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.891 -0.506 . . . . 0.0 109.646 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 50' ' ' VAL . 2.6 p -169.65 -77.65 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.581 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -151.94 171.44 17.8 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.187 -0.946 . . . . 0.0 110.943 179.619 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.57 107.46 0.33 Allowed Glycine 0 N--CA 1.5 2.935 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 2.5 mp0 -74.26 69.62 1.59 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.273 -1.133 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.8 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.928 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.627 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.995 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -69.26 -53.04 21.8 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.401 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -64.29 -42.44 96.4 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.948 -0.47 . . . . 0.0 110.355 179.267 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.437 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -56.03 -44.59 78.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.127 -0.983 . . . . 0.0 108.489 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.708 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -70.73 -43.77 68.23 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 64' ' ' ARG . 20.3 mt-10 -48.56 -51.81 25.86 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.545 -0.722 . . . . 0.0 109.295 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -63.56 -51.39 65.61 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.319 -0.863 . . . . 0.0 109.031 179.002 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.656 ' CE ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -48.74 -41.94 33.77 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.265 -0.897 . . . . 0.0 110.185 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.837 HD21 HG22 ' A' ' 13' ' ' VAL . 31.0 mt -67.98 -54.93 14.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.203 -0.936 . . . . 0.0 110.305 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 68' ' ' LYS . 35.1 m -57.6 -34.06 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.842 -1.161 . . . . 0.0 109.537 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 68' ' ' LYS . 1.6 mt-10 -71.98 -51.79 20.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.044 -1.035 . . . . 0.0 108.795 178.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.746 HD21 HG21 ' A' ' 46' ' ' VAL . 41.9 mt -64.01 -22.91 67.13 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 109.918 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -86.68 -17.11 34.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.87 -1.144 . . . . 0.0 109.695 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -103.17 -16.41 15.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.407 -0.808 . . . . 0.0 109.758 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.916 -179.48 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.698 ' O ' HG23 ' A' ' 13' ' ' VAL . 34.0 Cg_endo . . . . . 0 CA--C 1.536 0.611 0 N-CA-C 110.32 -0.685 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.77 -42.2 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.014 -1.053 . . . . 0.0 109.174 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -62.02 1.93 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.308 -0.87 . . . . 0.0 109.689 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.434 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 22.8 mt-30 -53.56 -41.98 67.07 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.406 -0.809 . . . . 0.0 110.116 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.86 HG22 HD21 ' A' ' 70' ' ' LEU . 74.0 t -58.33 -41.11 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 120.872 -1.143 . . . . 0.0 108.201 178.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -69.39 -41.66 76.18 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.451 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 3.4 mt-10 -56.86 -43.32 81.08 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.711 -0.618 . . . . 0.0 109.948 179.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.4 pp -83.43 -28.86 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.925 -1.109 . . . . 0.0 110.161 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.531 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -72.97 -55.53 6.33 Favored Glycine 0 N--CA 1.499 2.885 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 18' ' ' ILE . 47.6 mm -76.32 63.8 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 CA-C-O 122.252 1.025 . . . . 0.0 108.331 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.451 ' HD3' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -171.4 -49.57 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -0.904 . . . . 0.0 109.113 -179.075 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.09 34.22 2.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.302 -0.874 . . . . 0.0 109.672 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t30 50.72 49.13 21.56 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.273 -0.892 . . . . 0.0 110.182 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.568 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 11.7 mtp -116.69 115.9 26.52 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.03 -1.044 . . . . 0.0 110.05 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.499 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -75.12 95.35 3.07 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.246 -0.909 . . . . 0.0 109.836 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.714 HG11 HG12 ' A' ' 13' ' ' VAL . 94.5 t -82.93 107.65 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.313 -0.867 . . . . 0.0 109.749 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.585 ' HB2' HG22 ' A' ' 45' ' ' ILE . 8.2 m-70 -130.24 108.99 10.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.99 -1.069 . . . . 0.0 109.791 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.433 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 75.2 m-85 -79.75 161.96 25.42 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.144 -0.973 . . . . 0.0 110.129 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -159.5 149.41 18.69 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.198 -0.939 . . . . 0.0 110.176 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -114.8 128.35 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.018 -1.051 . . . . 0.0 108.593 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 43' ' ' ALA . 6.8 mt -78.82 -58.9 3.01 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.137 -0.977 . . . . 0.0 109.571 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.093 0 O-C-N 121.408 -0.808 . . . . 0.0 110.421 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 N--CA 1.5 2.044 0 CA-C-O 121.52 0.676 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 41' ' ' ILE . 1.2 tp -88.43 122.05 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.155 -0.966 . . . . 0.0 109.771 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 60.9 m -113.66 123.73 50.62 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.162 -0.961 . . . . 0.0 110.316 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -96.33 118.41 32.82 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.154 -0.966 . . . . 0.0 109.672 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.688 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 39.6 m -103.01 137.4 41.25 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.994 -1.066 . . . . 0.0 110.458 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.703 HG13 HG22 ' A' ' 50' ' ' VAL . 10.8 tt -123.36 138.44 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.299 -0.875 . . . . 0.0 108.942 178.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.568 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 87.9 t -136.8 101.66 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.377 -0.827 . . . . 0.0 109.59 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.499 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 67.44 -99.67 0.54 Allowed Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.7 p -119.54 26.68 9.23 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.378 -1.072 . . . . 0.0 110.454 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.7 mp -133.67 147.62 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.937 -1.102 . . . . 0.0 109.992 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.703 HG22 HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -134.31 143.95 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.202 -0.936 . . . . 0.0 109.35 179.284 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.676 ' HB ' ' HG2' ' A' ' 69' ' ' MET . 73.5 m -145.42 130.71 18.57 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.556 -0.715 . . . . 0.0 109.661 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 2.1 mp0 -88.54 144.65 26.2 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.284 -0.885 . . . . 0.0 110.695 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.662 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -127.56 104.96 0.71 Allowed Glycine 0 N--CA 1.497 2.714 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -78.16 86.37 4.3 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.393 -1.063 . . . . 0.0 110.877 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 3.322 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 178.935 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.6 mttt . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -65.71 -71.55 0.19 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -41.92 -38.51 1.59 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.41 -0.806 . . . . 0.0 110.801 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.688 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -72.0 -46.19 58.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.373 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.46 -48.49 69.76 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.29 -0.881 . . . . 0.0 109.384 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.08 -48.03 61.71 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.633 -0.667 . . . . 0.0 109.46 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.536 ' HB3' HG21 ' A' ' 51' ' ' THR . 1.1 mmmt -57.18 -52.62 64.58 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.404 -0.81 . . . . 0.0 108.92 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.676 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -56.11 -50.32 71.39 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.472 -0.767 . . . . 0.0 109.897 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.86 HD21 HG22 ' A' ' 13' ' ' VAL . 65.7 mt -57.35 -52.55 64.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.387 -0.821 . . . . 0.0 109.243 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.4 t -55.74 -42.86 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.55 -0.719 . . . . 0.0 109.514 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.479 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -59.13 -62.43 1.89 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.388 -0.82 . . . . 0.0 111.066 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.13 -33.77 70.41 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.815 -1.178 . . . . 0.0 111.527 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 30.0 mt-30 -71.91 -16.53 62.12 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.587 -1.321 . . . . 0.0 109.623 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -93.05 -57.62 2.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.274 -0.891 . . . . 0.0 109.235 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 76' ' ' LEU . 5.0 mt . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 119.345 -0.36 . . . . 0.0 111.195 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.632 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 32.3 Cg_endo . . . . . 0 CA--C 1.544 0.99 0 CA-C-O 120.762 0.234 . . . . 0.0 112.36 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -115.55 -67.68 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.634 -1.291 . . . . 0.0 109.407 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 p -63.87 -73.73 0.11 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.96 -1.087 . . . . 0.0 110.127 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.76 -43.98 6.41 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.547 -0.721 . . . . 0.0 110.977 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.815 HG22 ' HG ' ' A' ' 70' ' ' LEU . 90.1 t -59.68 -52.34 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.935 -1.103 . . . . 0.0 108.955 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.439 ' HA ' ' CG1' ' A' ' 24' ' ' VAL . 12.8 m-70 -59.8 -39.47 85.08 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.93 -51.91 67.7 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.6 mt -58.95 -40.2 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.827 . . . . 0.0 108.857 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.899 ' HA3' HG12 ' A' ' 24' ' ' VAL . . . -55.26 -45.36 83.13 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 108.589 -1.805 . . . . 0.0 108.589 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 18' ' ' ILE . 41.9 mm -94.47 49.31 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-O 122.112 0.958 . . . . 0.0 108.502 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -153.94 -58.33 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.84 -1.162 . . . . 0.0 109.511 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.64 32.51 1.22 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.204 -0.935 . . . . 0.0 109.462 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 50.26 38.05 16.55 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.471 -0.768 . . . . 0.0 110.046 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.2 mtt -93.54 -26.68 17.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.281 -0.887 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.817 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER 50.17 56.7 7.52 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.144 -0.973 . . . . 0.0 109.585 -179.779 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.899 HG12 ' HA3' ' A' ' 17' ' ' GLY . 13.7 p -70.13 116.1 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.364 -0.835 . . . . 0.0 110.694 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.817 ' NE2' HG22 ' A' ' 23' ' ' THR . 94.4 m-70 -122.45 119.18 30.22 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.236 -0.915 . . . . 0.0 109.504 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 66' ' ' ALA . 71.7 m-85 -98.55 125.37 43.77 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.287 -0.883 . . . . 0.0 110.201 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -148.21 155.86 41.87 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -0.931 . . . . 0.0 110.256 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.6 p -98.18 157.18 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.178 -0.951 . . . . 0.0 109.479 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.617 HD21 ' CB ' ' A' ' 43' ' ' ALA . 7.1 mt -102.9 -62.38 1.28 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.152 -0.968 . . . . 0.0 109.377 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 . . . . . 0 N--CA 1.504 2.228 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.832 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 121.06 0.457 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.483 ' CG2' ' HA2' ' A' ' 53' ' ' GLY . 22.6 mm -126.44 123.23 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.449 -0.782 . . . . 0.0 109.24 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -95.06 159.03 15.21 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.22 -0.925 . . . . 0.0 110.007 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.666 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . . . -133.8 136.01 44.22 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.999 -1.063 . . . . 0.0 109.767 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 34.2 t -131.19 145.05 51.79 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.995 -1.066 . . . . 0.0 110.378 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.653 ' HB ' ' HB2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -98.39 126.88 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.321 -0.862 . . . . 0.0 109.107 179.433 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.725 HG21 HD22 ' A' ' 73' ' ' LEU . 14.1 p -123.59 112.77 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.486 -0.759 . . . . 0.0 109.493 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -7.21 75.39 0.0 OUTLIER Glycine 1 N--CA 1.517 4.082 0 C-N-CA 123.432 0.539 . . . . 0.0 112.973 -179.352 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 m 157.08 -63.51 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 O-C-N 122.034 -0.686 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.443 HG13 ' C ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -153.3 -169.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.366 -0.834 . . . . 0.0 109.375 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.553 HG22 ' CD1' ' A' ' 45' ' ' ILE . 10.7 t -99.96 150.97 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.028 -1.045 . . . . 0.0 109.415 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.614 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -166.95 140.51 3.73 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.342 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.698 ' CG ' ' HB1' ' A' ' 65' ' ' ALA . 5.9 tp10 171.23 -128.03 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.902 -0.499 . . . . 0.0 110.088 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 41' ' ' ILE . . . 116.95 -139.85 15.45 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' HG3' ' HD3' ' A' ' 68' ' ' LYS . 6.2 mm-40 56.66 173.56 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.878 0.847 . . . . 0.0 111.188 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.92 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -179.682 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.3 tttt . . . . . 0 N--CA 1.501 2.095 0 CA-C-O 121.028 0.442 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HE3' ' OE1' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -72.44 -78.23 0.09 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.387 -0.82 . . . . 0.0 109.451 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -39.25 -41.57 0.89 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.505 -0.747 . . . . 0.0 111.051 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.698 ' HB1' ' CG ' ' A' ' 52' ' ' GLU . . . -59.75 -66.34 0.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.387 -0.821 . . . . 0.0 108.988 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.417 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -51.24 -45.26 61.93 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.166 -0.959 . . . . 0.0 110.023 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -52.33 -53.12 48.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.434 -0.791 . . . . 0.0 109.376 179.289 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' HG12 ' A' ' 71' ' ' VAL . 2.5 tttt -67.08 -50.48 61.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.48 -0.763 . . . . 0.0 110.402 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.658 ' HE2' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -52.62 -54.69 29.68 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.285 -0.884 . . . . 0.0 110.536 -179.254 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.815 ' HG ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -72.11 -41.17 67.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.909 -1.119 . . . . 0.0 111.584 -178.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -52.94 -29.57 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 120.415 -1.428 . . . . 0.0 109.375 179.648 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.84 -50.84 5.52 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.18 -0.95 . . . . 0.0 109.401 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.725 HD22 HG21 ' A' ' 46' ' ' VAL . 37.7 mt -65.7 -17.22 64.45 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.277 -0.889 . . . . 0.0 111.704 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.428 ' HG3' HD13 ' A' ' 70' ' ' LEU . 34.1 mt-30 -76.91 10.02 2.54 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.626 -1.296 . . . . 0.0 110.37 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -118.35 -43.9 2.7 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.075 -1.016 . . . . 0.0 110.879 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.949 -178.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.615 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 36.0 Cg_endo . . . . . 0 CA--C 1.543 0.965 0 CA-C-O 121.263 0.443 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mm -136.6 -69.23 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.948 -1.095 . . . . 0.0 109.745 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.01 -61.37 2.36 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.223 -0.923 . . . . 0.0 109.875 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -52.49 -33.89 46.8 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.78 -0.575 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.944 ' HA ' HD21 ' A' ' 70' ' ' LEU . 44.8 t -63.1 -47.25 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.843 -1.16 . . . . 0.0 108.388 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -67.0 -38.52 86.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.88 -46.04 91.14 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.355 -0.841 . . . . 0.0 109.211 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.558 HD13 HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -60.43 -48.43 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.31 -0.869 . . . . 0.0 108.82 179.189 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.99 72.52 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.71 -41.73 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.326 -1.102 . . . . 0.0 109.101 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.89 -45.85 15.54 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.672 -0.643 . . . . 0.0 110.586 179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -106.73 18.59 21.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.11 -0.994 . . . . 0.0 110.276 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.24 51.84 5.3 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.887 0.851 . . . . 0.0 109.389 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.553 ' HG2' ' HA3' ' A' ' 47' ' ' GLY . 27.7 mtt -124.64 119.36 28.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.37 -0.832 . . . . 0.0 110.066 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -67.66 135.4 52.76 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.201 -0.937 . . . . 0.0 109.8 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.792 HG11 HG12 ' A' ' 13' ' ' VAL . 58.8 t -108.37 111.38 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.507 -0.746 . . . . 0.0 109.684 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.54 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 11.3 m-70 -132.25 112.86 12.6 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.918 -1.114 . . . . 0.0 110.448 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 44' ' ' CYS . 89.3 m-85 -85.47 173.13 10.47 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.137 -0.977 . . . . 0.0 110.663 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 178.53 145.12 0.13 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.652 -0.655 . . . . 0.0 109.458 179.752 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.581 ' C ' ' HG ' ' A' ' 29' ' ' LEU . 59.2 t -89.41 -2.77 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 O-C-N 120.746 -1.221 . . . . 0.0 110.812 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 43' ' ' ALA . 5.5 mt 73.7 -37.9 0.39 Allowed 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.344 -0.848 . . . . 0.0 110.433 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 . . . . . 0 N--CA 1.495 1.801 0 O-C-N 121.544 -0.722 . . . . 0.0 110.269 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 8.2 m-30 . . . . . 0 N--CA 1.51 2.565 0 CA-C-O 121.817 0.817 . . . . 0.0 112.154 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.661 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -46.75 123.51 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 121.709 -0.619 . . . . 0.0 111.171 -178.094 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.56 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 0.2 OUTLIER -115.31 130.71 56.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.043 -1.036 . . . . 0.0 109.082 178.466 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.784 ' HB3' HD21 ' A' ' 29' ' ' LEU . . . -121.71 139.34 53.7 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.022 -1.049 . . . . 0.0 109.747 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 52.5 t -121.37 149.14 43.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.957 . . . . 0.0 109.3 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.883 HG13 HG22 ' A' ' 50' ' ' VAL . 11.7 tt -122.56 125.58 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 24' ' ' VAL . 96.1 t -134.17 95.16 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.483 -0.76 . . . . 0.0 109.722 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.553 ' HA3' ' HG2' ' A' ' 22' ' ' MET . . . 67.77 -84.19 0.16 Allowed Glycine 0 N--CA 1.501 2.996 0 O-C-N 121.187 -0.946 . . . . 0.0 110.875 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -123.03 -18.69 6.31 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.303 -1.116 . . . . 0.0 111.265 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.0 pt -92.75 131.72 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.787 -1.195 . . . . 0.0 109.693 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.94 HG12 ' H ' ' A' ' 51' ' ' THR . 3.3 t -131.89 -179.06 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.926 -1.109 . . . . 0.0 110.761 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.94 ' H ' HG12 ' A' ' 50' ' ' VAL . 9.4 m 82.26 161.95 0.14 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -177.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.838 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -145.38 -76.89 0.21 Allowed 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 117.638 -1.625 . . . . 0.0 110.961 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.52 161.81 22.75 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.661 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 11.1 mp0 -69.73 107.75 3.61 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.262 -1.14 . . . . 0.0 111.013 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.551 ' HA2' ' HD2' ' A' ' 64' ' ' ARG . . . . . . . . 0 N--CA 1.494 2.532 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.5 tttt . . . . . 0 N--CA 1.509 2.51 0 CA-C-O 122.104 0.954 . . . . 0.0 108.635 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.84 -68.07 0.19 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.551 ' HD2' ' HA2' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -48.97 -45.73 42.53 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.404 0.621 . . . . 0.0 110.004 177.166 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.838 ' HB1' ' HG3' ' A' ' 52' ' ' GLU . . . -58.17 -50.1 74.71 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.757 0.789 . . . . 0.0 109.864 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . . . -59.17 -46.17 89.11 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -0.981 . . . . 0.0 110.649 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' OE1' ' HG3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -55.17 -47.13 75.61 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.142 -0.974 . . . . 0.0 109.645 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 72' ' ' GLU . 2.7 ttpm? -62.45 -49.12 76.67 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.51 -0.744 . . . . 0.0 109.545 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -40.97 91.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.098 -1.001 . . . . 0.0 109.51 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' A' ' 13' ' ' VAL . 9.1 mt -65.45 -55.43 18.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.206 -0.934 . . . . 0.0 109.877 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 68' ' ' LYS . 9.9 p -58.05 -34.61 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.316 -0.865 . . . . 0.0 109.642 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -69.02 -55.4 10.94 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.079 -1.013 . . . . 0.0 109.535 178.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 73' ' ' LEU . 77.8 mt -61.54 -30.68 70.8 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.147 -0.97 . . . . 0.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -85.91 -11.45 53.17 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.931 -1.106 . . . . 0.0 110.565 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.505 ' O ' ' HE2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -112.72 -21.97 10.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.066 -1.022 . . . . 0.0 110.522 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 117.473 -1.251 . . . . 0.0 110.987 179.716 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HG2' ' HB3' ' A' ' 66' ' ' ALA . 34.8 Cg_endo . . . . . 0 N--CA 1.482 0.797 0 CA-C-O 121.561 0.567 . . . . 0.0 111.51 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.01 -53.09 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.108 -0.995 . . . . 0.0 109.468 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -48.3 -63.49 1.06 Allowed 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.32 -0.862 . . . . 0.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' O ' HG12 ' A' ' 16' ' ' ILE . 11.8 mt-30 -50.6 -40.36 52.47 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.266 -0.896 . . . . 0.0 110.478 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.556 HG22 HD21 ' A' ' 70' ' ' LEU . 98.2 t -59.53 -44.3 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.875 -1.14 . . . . 0.0 108.16 178.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.447 ' O ' HD12 ' A' ' 18' ' ' ILE . 17.6 m-70 -66.21 -43.85 85.53 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -56.89 -44.34 82.22 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.53 -0.731 . . . . 0.0 109.107 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 12' ' ' GLN . 36.8 mm -70.23 -40.39 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.049 -1.032 . . . . 0.0 109.038 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.524 ' HA3' HG23 ' A' ' 24' ' ' VAL . . . -59.25 -50.49 67.22 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 18' ' ' ILE . 4.7 mt -80.43 52.53 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.424 -1.045 . . . . 0.0 108.623 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -155.81 -54.65 0.09 Allowed 'General case' 0 C--N 1.295 -1.761 0 O-C-N 120.995 -1.066 . . . . 0.0 108.696 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -93.51 29.63 1.94 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.497 -0.752 . . . . 0.0 109.196 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 t30 53.9 52.38 13.07 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.351 -0.843 . . . . 0.0 110.147 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.65 ' HB3' HG22 ' A' ' 46' ' ' VAL . 45.2 mtm -126.59 112.14 15.16 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.981 -1.074 . . . . 0.0 110.538 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -66.25 119.8 12.14 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.11 -0.994 . . . . 0.0 109.226 179.023 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.524 HG23 ' HA3' ' A' ' 17' ' ' GLY . 70.6 t -99.49 110.83 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.413 -0.804 . . . . 0.0 109.969 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.683 ' HB2' HG22 ' A' ' 45' ' ' ILE . 9.9 m-70 -131.71 127.03 35.99 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.987 -1.07 . . . . 0.0 109.965 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -93.86 144.18 25.67 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.24 -0.912 . . . . 0.0 109.671 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -150.89 128.6 11.57 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.163 -0.96 . . . . 0.0 110.481 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.2 t -87.24 138.59 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.943 -1.098 . . . . 0.0 108.81 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 43' ' ' ALA . 8.3 mt -74.69 -55.55 5.75 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.171 -0.956 . . . . 0.0 109.8 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.499 2.013 0 O-C-N 121.342 -0.849 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 N--CA 1.496 1.852 0 CA-C-O 121.572 0.701 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.494 HG23 ' HG2' ' A' ' 54' ' ' GLU . 1.4 mp -82.32 108.3 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.232 -0.917 . . . . 0.0 109.66 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -116.37 130.91 57.02 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.892 -1.13 . . . . 0.0 109.357 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -109.64 155.63 21.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.929 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 5.6 t -133.79 139.63 46.42 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -0.998 . . . . 0.0 109.843 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.683 HG22 ' HB2' ' A' ' 25' ' ' HIS . 16.9 tt -110.55 133.05 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.65 HG22 ' HB3' ' A' ' 22' ' ' MET . 9.8 p -131.91 109.7 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 CA-C-O 121.841 0.829 . . . . 0.0 109.45 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.27 -106.28 0.89 Allowed Glycine 0 N--CA 1.501 2.995 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.52 23.4 12.4 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.314 -1.11 . . . . 0.0 110.331 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.8 151.51 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.026 -1.046 . . . . 0.0 109.809 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.406 HG22 HG13 ' A' ' 45' ' ' ILE . 1.6 t -128.18 149.59 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.036 -1.04 . . . . 0.0 109.322 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.7 p -141.97 126.87 18.24 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.141 -0.974 . . . . 0.0 110.353 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 14.2 mt-10 -94.38 149.17 21.5 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.274 -0.891 . . . . 0.0 110.388 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.64 108.66 0.65 Allowed Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.494 ' HG2' HG23 ' A' ' 41' ' ' ILE . 5.5 mt-10 -81.17 79.57 7.8 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.406 -1.056 . . . . 0.0 110.173 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.003 0 O-C-N 120.809 -1.182 . . . . 0.0 110.721 -179.884 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -64.98 0.74 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.36 -0.838 . . . . 0.0 109.44 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -35.81 73.7 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.427 -0.796 . . . . 0.0 110.53 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.37 -49.05 75.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.983 -1.073 . . . . 0.0 108.79 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.409 ' HB3' ' HG2' ' A' ' 9' ' ' PRO . . . -68.0 -39.94 83.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.564 -0.71 . . . . 0.0 109.241 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -50.3 -56.01 13.04 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.522 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.17 -49.67 76.97 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.084 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.446 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 9.2 ttm -50.52 -49.44 55.75 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.214 -0.929 . . . . 0.0 110.218 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.556 HD21 HG22 ' A' ' 13' ' ' VAL . 43.9 mt -70.74 -43.04 69.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.886 -1.134 . . . . 0.0 110.345 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.53 -38.6 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.061 -1.025 . . . . 0.0 109.807 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.522 ' HG3' ' HG3' ' A' ' 68' ' ' LYS . 3.3 mm-40 -80.63 -40.55 25.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.079 -1.013 . . . . 0.0 109.203 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 46' ' ' VAL . 14.9 mt -62.19 -36.02 80.63 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.425 -0.797 . . . . 0.0 109.86 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -71.46 -0.3 10.06 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.196 -0.94 . . . . 0.0 110.17 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 72' ' ' GLU . 1.1 mtmp? -95.95 -16.74 21.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.145 -0.972 . . . . 0.0 109.628 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 N--CA 1.485 1.324 0 O-C-N 121.463 -0.773 . . . . 0.0 110.079 -178.985 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 37.5 Cg_endo . . . . . 0 CA--C 1.545 1.049 0 CA-C-O 121.217 0.424 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.65 -56.92 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.367 0 O-C-N 121.262 -0.899 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.42 -48.29 37.3 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.005 -1.059 . . . . 0.0 110.805 -179.528 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.429 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 26.4 mt-30 -56.14 -43.78 78.57 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.964 -1.085 . . . . 0.0 109.512 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.779 HG22 HD11 ' A' ' 70' ' ' LEU . 48.1 t -62.14 -41.0 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.153 -0.967 . . . . 0.0 109.005 178.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.646 ' HA ' HG11 ' A' ' 24' ' ' VAL . 13.3 m-70 -64.12 -45.88 86.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.287 -0.883 . . . . 0.0 108.941 179.048 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 5.8 mm-40 -63.64 -48.8 75.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.704 -0.622 . . . . 0.0 110.368 179.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.509 HG12 ' HA ' ' A' ' 13' ' ' VAL . 46.2 pt -60.7 -33.13 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.656 -1.277 . . . . 0.0 109.507 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.416 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -71.17 -56.64 6.79 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 108.461 -1.856 . . . . 0.0 108.461 178.537 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -40.14 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -1.166 . . . . 0.0 109.387 178.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -54.68 -25.89 30.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.53 -0.731 . . . . 0.0 110.142 179.579 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -104.89 23.31 13.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 109.585 179.227 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 66.4 m-80 63.82 29.53 14.69 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.293 -0.88 . . . . 0.0 110.021 -179.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.51 ' CE ' HG22 ' A' ' 46' ' ' VAL . 24.8 mtp -107.73 131.23 54.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.087 -1.008 . . . . 0.0 110.063 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.432 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 5.1 p -72.54 119.01 16.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.232 -0.917 . . . . 0.0 109.881 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.74 HG22 HG23 ' A' ' 46' ' ' VAL . 12.5 t -115.7 106.63 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.39 -0.819 . . . . 0.0 109.595 179.733 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.67 ' HB2' HG22 ' A' ' 45' ' ' ILE . 52.9 m-70 -120.93 131.8 54.57 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.194 -0.941 . . . . 0.0 109.698 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 44' ' ' CYS . 3.3 m-85 -121.92 108.97 14.06 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.479 -0.763 . . . . 0.0 110.047 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.3 mmtt -150.59 172.19 15.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.92 -1.112 . . . . 0.0 109.942 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.86 131.46 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.724 -1.235 . . . . 0.0 109.688 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.077 HD23 ' HB2' ' A' ' 43' ' ' ALA . 1.2 pp -85.82 -21.36 28.15 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.603 -0.685 . . . . 0.0 110.687 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.497 1.924 0 O-C-N 120.982 -1.074 . . . . 0.0 109.995 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.559 0.695 . . . . 0.0 110.63 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 41' ' ' ILE . 5.3 mp -116.6 105.75 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.365 -0.835 . . . . 0.0 109.438 179.802 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.524 ' O ' ' HA3' ' A' ' 53' ' ' GLY . 63.0 m -85.53 121.93 28.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.375 -0.828 . . . . 0.0 109.235 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 1.077 ' HB2' HD23 ' A' ' 29' ' ' LEU . . . -86.81 112.5 21.77 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.876 -1.14 . . . . 0.0 108.797 179.34 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.581 ' HB2' ' HE3' ' A' ' 69' ' ' MET . 25.9 m -117.19 131.23 56.91 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.775 -1.203 . . . . 0.0 109.175 -179.617 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.67 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.8 tt -119.43 124.58 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.864 -1.148 . . . . 0.0 109.494 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.74 HG23 HG22 ' A' ' 24' ' ' VAL . 12.7 p -147.98 66.45 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 CA-C-O 121.965 0.888 . . . . 0.0 109.759 -179.299 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.4 -82.23 0.01 OUTLIER Glycine 0 N--CA 1.505 3.295 0 O-C-N 121.174 -0.954 . . . . 0.0 111.943 179.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.531 ' HB3' HD21 ' A' ' 73' ' ' LEU . 8.0 t -76.46 -22.89 54.0 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.311 -1.111 . . . . 0.0 111.591 -178.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.735 HG21 ' HG2' ' A' ' 69' ' ' MET . 39.5 mm -119.49 148.73 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 O-C-N 120.621 -1.3 . . . . 0.0 110.982 -179.169 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.067 HG12 HG22 ' A' ' 51' ' ' THR . 55.3 t -137.83 160.79 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.547 -0.721 . . . . 0.0 109.322 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 1.067 HG22 HG12 ' A' ' 50' ' ' VAL . 1.8 t 21.09 -108.07 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.851 178.61 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.637 ' H ' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER 40.2 22.43 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.563 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.524 ' HA3' ' O ' ' A' ' 42' ' ' THR . . . -93.76 120.13 6.2 Favored Glycine 0 N--CA 1.491 2.308 0 C-N-CA 119.601 -1.285 . . . . 0.0 110.326 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 -136.86 0.11 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.331 -1.099 . . . . 0.0 108.787 179.495 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.725 0 O-C-N 120.995 -1.066 . . . . 0.0 111.199 179.436 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.494 ' HA ' HG21 ' A' ' 42' ' ' THR . 15.8 mtmt . . . . . 0 N--CA 1.501 2.086 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -63.43 -67.65 0.41 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.636 -0.665 . . . . 0.0 109.653 179.142 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.51 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -47.89 -47.5 31.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.676 -0.64 . . . . 0.0 110.247 179.707 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.505 ' CB ' ' CA ' ' A' ' 53' ' ' GLY . . . -58.95 -44.3 91.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.335 -0.853 . . . . 0.0 109.059 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.436 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . . . -64.29 -37.02 86.0 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.213 -0.929 . . . . 0.0 109.857 179.403 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.555 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.9 mt-10 -53.86 -44.8 70.68 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.801 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -58.45 -47.16 84.93 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.396 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.735 ' HG2' HG21 ' A' ' 49' ' ' ILE . 9.0 mtt -58.99 -55.19 38.33 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.527 -0.733 . . . . 0.0 110.562 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.779 HD11 HG22 ' A' ' 13' ' ' VAL . 25.8 mt -61.02 -46.42 90.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.129 -0.982 . . . . 0.0 110.888 -179.299 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 67' ' ' GLU . 75.5 t -52.62 -47.9 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.117 -0.989 . . . . 0.0 110.461 -179.401 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -77.46 -48.38 17.27 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.409 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 48' ' ' SER . 97.4 mt -58.42 -32.18 68.42 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.109 -0.994 . . . . 0.0 111.01 -179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -85.35 7.03 23.91 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.87 -1.144 . . . . 0.0 109.845 179.228 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.94 1.06 8.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.23 -0.919 . . . . 0.0 110.855 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 117.847 -1.073 . . . . 0.0 109.983 -179.808 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.642 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.9 Cg_endo . . . . . 0 CA--C 1.534 0.503 0 N-CA-C 109.914 -0.841 . . . . 0.0 109.914 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' A' ' 62' ' ' LYS . 10.0 mt -57.65 -47.35 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.411 -0.805 . . . . 0.0 109.801 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 p -61.41 -52.73 63.38 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.946 -1.096 . . . . 0.0 109.326 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -57.84 -42.95 85.44 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.135 -0.978 . . . . 0.0 109.203 179.275 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.827 ' HA ' HD21 ' A' ' 70' ' ' LEU . 98.4 t -63.29 -42.42 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -58.08 -41.72 84.06 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -59.82 -57.89 10.94 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.7 mm -46.43 -43.4 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.331 -0.856 . . . . 0.0 110.195 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 -51.45 10.28 Favored Glycine 0 N--CA 1.498 2.799 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 18' ' ' ILE . 32.8 mm -79.39 50.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 122.134 0.968 . . . . 0.0 109.481 179.264 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -148.87 -45.11 0.15 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.563 -1.336 . . . . 0.0 109.562 179.599 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 32.6 mtm180 -93.28 -72.2 0.62 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 178.674 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER 173.27 55.53 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.633 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.561 ' HB3' HG12 ' A' ' 46' ' ' VAL . 22.5 mtt -143.4 130.35 20.55 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.845 -1.159 . . . . 0.0 110.95 -179.113 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -74.98 153.96 38.3 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.312 -0.867 . . . . 0.0 109.315 179.136 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.4 t -128.21 106.71 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.217 -0.927 . . . . 0.0 109.376 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.844 ' HB2' HG22 ' A' ' 45' ' ' ILE . 70.6 m-70 -116.63 121.24 41.13 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.071 -1.018 . . . . 0.0 110.104 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 10.4 m-85 -114.12 134.88 54.59 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.401 -0.812 . . . . 0.0 109.262 179.42 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -154.93 132.77 11.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.99 -1.069 . . . . 0.0 110.703 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.651 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 74.1 t -79.45 146.38 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.128 -0.982 . . . . 0.0 109.067 179.027 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.54 HD12 HG12 ' A' ' 41' ' ' ILE . 7.5 mt -91.43 -59.07 2.24 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.298 -0.876 . . . . 0.0 109.501 -179.772 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 41' ' ' ILE . 5.4 ttt180 . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 121.415 0.626 . . . . 0.0 110.474 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 55' ' ' GLY . 1.5 m-85 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 121.354 0.597 . . . . 0.0 109.657 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 41' ' ' ILE . 3.7 tp -153.3 108.8 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.061 -1.025 . . . . 0.0 109.578 179.544 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.651 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 90.8 m -110.09 121.05 44.35 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.058 -1.026 . . . . 0.0 109.682 -179.414 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -93.87 152.12 19.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.263 -0.898 . . . . 0.0 109.483 179.568 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.562 ' HB2' ' HE3' ' A' ' 69' ' ' MET . 25.0 p -144.51 143.3 30.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.979 . . . . 0.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.844 HG22 ' HB2' ' A' ' 25' ' ' HIS . 7.7 tt -126.35 142.09 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.074 -1.016 . . . . 0.0 111.03 -179.336 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.71 HG22 ' HE1' ' A' ' 69' ' ' MET . 1.7 t -105.97 171.28 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.628 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -37.07 -46.36 1.25 Allowed Glycine 0 N--CA 1.508 3.484 0 O-C-N 121.313 -0.867 . . . . 0.0 111.262 179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.9 p -141.99 38.37 1.61 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.083 -1.245 . . . . 0.0 110.294 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 24.4 mm -148.22 154.88 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.162 -0.961 . . . . 0.0 109.657 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.676 HG13 HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -129.98 140.01 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.834 -1.166 . . . . 0.0 109.127 179.029 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.505 ' HB ' ' SG ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -146.34 163.68 34.8 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.236 -0.915 . . . . 0.0 109.967 -179.804 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -126.88 170.01 12.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.08 -1.013 . . . . 0.0 109.814 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.485 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -155.24 113.68 0.58 Allowed Glycine 0 N--CA 1.498 2.776 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -179.687 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.836 -0.802 . . . . 0.0 110.967 -179.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.529 ' O ' ' HB2' ' A' ' 40' ' ' PHE . . . . . . . . 0 N--CA 1.496 2.69 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -178.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HB3' HD11 ' A' ' 10' ' ' ILE . 2.9 mttp . . . . . 0 N--CA 1.5 2.071 0 CA-C-O 120.608 0.242 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -60.38 1.53 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.848 -1.158 . . . . 0.0 109.232 178.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -56.55 -45.76 81.06 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.531 -0.73 . . . . 0.0 110.202 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.485 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -59.49 -47.33 85.93 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.299 -0.876 . . . . 0.0 109.45 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.693 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -66.98 -37.98 85.22 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.495 -0.753 . . . . 0.0 110.223 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -53.73 -50.95 64.84 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.269 -0.894 . . . . 0.0 110.222 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' HG22 ' A' ' 71' ' ' VAL . 4.8 tttp -65.34 -41.24 94.11 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.148 -0.97 . . . . 0.0 109.867 179.528 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.71 ' HE1' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -63.73 -43.34 96.81 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.736 -1.228 . . . . 0.0 110.086 179.687 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.827 HD21 ' HA ' ' A' ' 13' ' ' VAL . 15.0 mt -60.5 -48.2 82.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.985 -1.072 . . . . 0.0 110.493 -179.681 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 68' ' ' LYS . 27.1 m -60.55 -28.36 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.893 -1.129 . . . . 0.0 109.395 179.309 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -59.69 2.68 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.571 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.643 HD11 HG21 ' A' ' 46' ' ' VAL . 10.9 mp -54.64 -24.01 19.71 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.642 -0.661 . . . . 0.0 110.61 179.174 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -35.35 64.05 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.963 -1.086 . . . . 0.0 109.807 179.538 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -109.99 -31.06 7.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.131 -0.981 . . . . 0.0 110.583 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.723 -179.885 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.434 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.7 Cg_endo . . . . . 0 CA--C 1.538 0.702 0 N-CA-C 110.518 -0.608 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -49.91 -52.17 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.308 -0.87 . . . . 0.0 109.962 179.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -62.32 1.86 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.381 -0.824 . . . . 0.0 109.448 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.421 ' O ' HG12 ' A' ' 16' ' ' ILE . 5.1 mt-30 -51.93 -38.58 56.88 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.53 -0.731 . . . . 0.0 110.321 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.705 HG22 HD21 ' A' ' 70' ' ' LEU . 39.1 t -60.52 -48.95 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 120.871 -1.143 . . . . 0.0 108.559 178.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.588 ' HA ' HG11 ' A' ' 24' ' ' VAL . 14.4 m-70 -64.11 -38.21 90.25 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.387 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 19.4 mt-10 -61.2 -55.48 31.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.68 -0.638 . . . . 0.0 109.795 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.445 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 48.8 pt -61.94 -34.48 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.019 -1.05 . . . . 0.0 110.571 -179.585 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.14 -49.33 72.36 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 mp -81.05 -33.98 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.394 -1.063 . . . . 0.0 110.468 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -60.6 -19.42 57.73 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.719 -1.238 . . . . 0.0 110.544 179.789 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HD3' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -115.9 -77.63 0.57 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.583 -0.698 . . . . 0.0 109.458 179.691 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 175.31 50.87 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.307 -0.871 . . . . 0.0 110.273 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.406 ' HA ' ' HA3' ' A' ' 47' ' ' GLY . 34.4 mtt -135.96 121.26 19.14 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.597 -1.314 . . . . 0.0 111.157 -179.412 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.445 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -78.21 104.48 8.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.259 -0.901 . . . . 0.0 109.093 178.959 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.588 HG11 ' HA ' ' A' ' 14' ' ' HIS . 14.8 p -97.2 119.34 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.285 -0.884 . . . . 0.0 110.081 -179.434 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.751 ' HB2' HG22 ' A' ' 45' ' ' ILE . 22.2 m-70 -131.79 121.7 24.59 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.955 -1.091 . . . . 0.0 110.11 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 44' ' ' CYS . 68.3 m-85 -105.07 86.51 2.45 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.383 -0.823 . . . . 0.0 109.924 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -97.15 157.01 16.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.319 -0.863 . . . . 0.0 111.133 -179.449 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -106.36 160.89 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 6.8 mt -107.91 -68.32 0.91 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.94 -1.1 . . . . 0.0 109.991 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 7.0 ttt-85 . . . . . 0 N--CA 1.498 1.962 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.412 ' C ' HG13 ' A' ' 41' ' ' ILE . 48.3 m-85 . . . . . 0 N--CA 1.502 2.144 0 CA-C-O 121.455 0.645 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.563 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 47.3 mt -146.97 84.27 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.296 -0.877 . . . . 0.0 109.759 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.407 HG21 ' CD ' ' A' ' 62' ' ' LYS . 1.8 m -77.25 118.89 20.19 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.879 -1.138 . . . . 0.0 109.48 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.09 136.17 39.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.012 -1.055 . . . . 0.0 109.52 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 11.0 p -124.53 131.02 53.49 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.947 -1.096 . . . . 0.0 110.496 -179.644 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.751 HG22 ' HB2' ' A' ' 25' ' ' HIS . 12.7 tt -115.81 141.99 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.36 -0.838 . . . . 0.0 109.266 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' SER . 4.8 p -132.2 157.76 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.443 -0.786 . . . . 0.0 109.177 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 22' ' ' MET . . . -64.72 67.51 0.07 OUTLIER Glycine 0 N--CA 1.508 3.447 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.331 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 46' ' ' VAL . 12.0 p 169.0 -38.0 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.873 -0.781 . . . . 0.0 109.879 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.4 -178.28 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.059 -1.025 . . . . 0.0 110.762 -179.379 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.649 HG22 HG13 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -139.61 142.87 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.323 -0.861 . . . . 0.0 109.059 179.297 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.7 m -144.35 157.03 44.47 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.617 -0.677 . . . . 0.0 109.556 179.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 1.6 pm0 -93.49 132.16 38.03 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.798 -1.189 . . . . 0.0 109.862 179.557 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.703 ' HA3' ' CB ' ' A' ' 65' ' ' ALA . . . -96.58 81.29 0.74 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -75.5 136.97 40.61 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.681 -0.893 . . . . 0.0 110.641 179.859 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.86 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 178.994 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.407 ' CD ' HG21 ' A' ' 42' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.499 2.009 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -60.03 -61.74 2.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.385 -0.822 . . . . 0.0 108.836 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.53 -30.55 60.91 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.516 -0.74 . . . . 0.0 109.856 179.116 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.703 ' CB ' ' HA3' ' A' ' 53' ' ' GLY . . . -67.65 -54.15 21.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 109.34 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.493 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -65.37 -40.64 93.81 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.323 -0.861 . . . . 0.0 109.466 179.306 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 71' ' ' VAL . 37.2 mt-10 -51.75 -47.71 63.97 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.317 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HE3' ' HG3' ' A' ' 54' ' ' GLU . 28.1 mttm -58.77 -56.67 19.23 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.7 ttm -49.2 -54.06 18.32 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.463 -0.773 . . . . 0.0 110.508 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.705 HD21 HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -61.56 -47.81 83.85 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.956 -1.09 . . . . 0.0 109.824 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 67' ' ' GLU . 55.2 t -55.78 -41.45 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.071 -1.018 . . . . 0.0 109.189 178.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.47 -55.98 11.43 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.325 -0.86 . . . . 0.0 109.661 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.649 HD23 HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -62.83 -27.84 69.6 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.389 -0.82 . . . . 0.0 111.303 -179.303 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -85.79 6.21 29.02 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.715 -1.241 . . . . 0.0 110.547 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -132.26 3.19 3.95 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.065 -1.022 . . . . 0.0 111.228 -179.612 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.33 -0.856 . . . . 0.0 110.053 -179.669 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.3 Cg_endo . . . . . 0 CA--C 1.537 0.672 0 N-CA-C 110.845 -0.483 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt -49.83 -41.7 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.309 -0.87 . . . . 0.0 109.749 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -60.78 2.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.512 -0.742 . . . . 0.0 109.327 179.197 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 6.8 mt-30 -62.93 -33.74 75.99 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.437 -0.789 . . . . 0.0 109.978 179.424 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.758 HG22 HD21 ' A' ' 70' ' ' LEU . 85.1 t -57.09 -49.7 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.946 -1.096 . . . . 0.0 108.468 178.732 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -63.71 -41.17 98.14 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.233 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 47.0 mt-10 -58.08 -51.25 70.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.55 -0.719 . . . . 0.0 110.333 179.525 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 17' ' ' GLY . 38.2 pt -66.67 -38.65 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.091 -1.006 . . . . 0.0 109.665 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.409 ' N ' HG13 ' A' ' 16' ' ' ILE . . . -60.84 -52.4 52.64 Favored Glycine 0 N--CA 1.499 2.89 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 178.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.4 mt -65.67 -39.99 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.542 -0.975 . . . . 0.0 109.557 179.105 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -68.01 -34.65 76.91 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.15 -0.969 . . . . 0.0 110.392 -179.879 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.95 14.01 23.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.004 -1.06 . . . . 0.0 110.533 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 t30 56.38 40.53 29.7 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.046 -1.034 . . . . 0.0 110.0 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.1 mtt -112.17 131.46 55.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.062 -1.024 . . . . 0.0 109.957 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.25 131.53 46.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.068 -1.02 . . . . 0.0 110.163 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.41 91.11 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.425 -0.797 . . . . 0.0 108.874 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.469 ' HB2' ' HB ' ' A' ' 45' ' ' ILE . 89.6 m-70 -102.27 99.59 9.69 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.918 -1.113 . . . . 0.0 110.591 -179.019 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.408 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 4.5 m-85 -86.24 104.04 15.42 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.294 -0.879 . . . . 0.0 109.219 179.377 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -135.97 146.08 46.85 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.921 -1.112 . . . . 0.0 111.236 -179.268 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.438 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 17.3 t -102.26 162.25 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.0 -1.063 . . . . 0.0 108.801 178.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.416 HD11 ' HB ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -100.18 -73.86 0.62 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.922 -1.112 . . . . 0.0 109.459 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 . . . . . 0 N--CA 1.501 2.1 0 CA-C-O 121.433 0.635 . . . . 0.0 109.5 179.911 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.62 0.724 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.508 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 3.2 mp -73.54 117.86 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.199 -0.938 . . . . 0.0 109.635 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.779 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 90.5 m -96.4 128.77 43.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.131 -0.981 . . . . 0.0 109.084 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.55 111.75 24.45 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.113 -0.992 . . . . 0.0 110.485 -179.402 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.836 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 60.6 m -107.52 116.02 31.19 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.017 -1.052 . . . . 0.0 109.095 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.547 ' CG1' ' HB ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -84.07 126.29 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.913 -1.117 . . . . 0.0 110.617 -179.188 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.75 HG22 ' CE ' ' A' ' 69' ' ' MET . 2.2 t -97.56 158.07 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 178.284 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.3 69.48 0.03 OUTLIER Glycine 0 N--CA 1.505 3.271 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 46' ' ' VAL . 1.7 m 164.41 -42.81 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 122.044 -0.68 . . . . 0.0 109.207 -179.611 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -158.17 -152.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.547 ' HB ' ' CG1' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -137.02 150.56 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.436 -1.415 . . . . 0.0 110.361 179.24 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.499 ' OG1' ' HG3' ' A' ' 69' ' ' MET . 6.7 p -117.9 117.34 29.01 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.431 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -88.21 142.02 28.09 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.361 -0.837 . . . . 0.0 110.477 -179.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.56 101.01 0.49 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 15.3 mt-10 -72.21 79.08 0.97 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.431 -1.04 . . . . 0.0 110.379 -179.6 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.936 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 179.799 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 mttt . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' NZ ' ' CD ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -64.84 -46.85 80.16 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.408 -0.807 . . . . 0.0 109.534 178.902 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -62.92 -44.65 95.5 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.352 -0.842 . . . . 0.0 109.014 179.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.836 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -60.01 -45.07 93.97 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.651 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.01 90.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.466 -0.771 . . . . 0.0 109.54 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.411 ' CD ' ' NZ ' ' A' ' 63' ' ' LYS . 26.9 mt-10 -54.52 -41.02 69.17 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.437 -0.79 . . . . 0.0 109.713 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.49 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -66.89 -57.27 7.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.228 -0.92 . . . . 0.0 108.972 178.857 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.75 ' CE ' HG22 ' A' ' 46' ' ' VAL . 1.7 mtt -49.11 -50.77 35.59 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.531 -0.731 . . . . 0.0 110.45 179.568 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.758 HD21 HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -65.51 -48.74 71.51 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.151 -0.968 . . . . 0.0 111.483 -179.162 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 68' ' ' LYS . 6.8 p -65.31 -38.4 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.766 -1.209 . . . . 0.0 110.61 -179.068 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.49 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -69.54 -55.72 9.38 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.129 -0.982 . . . . 0.0 109.852 179.888 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.819 HD23 HD11 ' A' ' 76' ' ' LEU . 37.6 mt -58.62 -22.17 55.64 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.978 -1.076 . . . . 0.0 110.595 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.558 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -55.31 -35.78 65.5 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 177.842 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.558 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 79.8 mttt -156.32 88.82 1.09 Allowed 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.469 0.652 . . . . 0.0 109.568 177.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.819 HD11 HD23 ' A' ' 73' ' ' LEU . 5.2 mt . . . . . 0 C--N 1.291 -1.943 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.981 179.565 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.413 ' O ' HG23 ' A' ' 13' ' ' VAL . 31.5 Cg_endo . . . . . 0 N--CA 1.479 0.669 0 N-CA-C 110.434 -0.641 . . . . 0.0 110.434 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.74 -39.09 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.32 -0.863 . . . . 0.0 109.776 179.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -65.33 0.66 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.039 -1.038 . . . . 0.0 109.318 179.298 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -57.47 -33.77 68.33 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.402 -0.811 . . . . 0.0 109.564 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.074 HG22 HD21 ' A' ' 70' ' ' LEU . 55.4 t -65.06 -38.75 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.861 -1.149 . . . . 0.0 108.514 178.251 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.524 ' HE2' ' HD2' ' A' ' 26' ' ' PHE . 4.0 m-70 -68.85 -48.68 62.87 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.526 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 37.4 mt-10 -58.66 -49.04 79.01 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.599 -0.688 . . . . 0.0 109.561 179.157 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.3 mt -70.22 -32.73 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.1 -1.0 . . . . 0.0 108.548 178.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.446 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -51.18 -41.92 47.8 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -88.28 -43.42 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 120.841 -1.387 . . . . 0.0 107.953 178.673 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 5.8 tptt -53.59 -34.21 57.6 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.686 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.509 ' HB3' ' HG3' ' A' ' 22' ' ' MET . 0.0 OUTLIER -104.66 24.59 11.52 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.047 -1.033 . . . . 0.0 110.904 -179.208 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.27 38.03 23.72 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.091 -1.006 . . . . 0.0 110.713 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.509 ' HG3' ' HB3' ' A' ' 20' ' ' ARG . 2.4 mtt -99.71 -35.95 9.64 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.996 -1.065 . . . . 0.0 109.968 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.451 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER 64.81 66.33 0.58 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.224 -0.922 . . . . 0.0 109.932 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.577 HG21 HG12 ' A' ' 13' ' ' VAL . 62.6 t -66.19 102.22 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.108 -0.995 . . . . 0.0 109.437 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.541 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 19.3 m-70 -108.27 112.16 24.49 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.245 -0.909 . . . . 0.0 110.14 -179.492 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.524 ' HD2' ' HE2' ' A' ' 14' ' ' HIS . 29.8 m-85 -89.47 137.77 32.03 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.325 -0.859 . . . . 0.0 110.24 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -151.17 124.52 8.87 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.455 -0.778 . . . . 0.0 109.779 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.9 t -90.25 135.21 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.906 -1.121 . . . . 0.0 109.533 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mt -82.71 -36.93 25.4 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.264 -0.897 . . . . 0.0 109.21 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 N--CA 1.496 1.845 0 O-C-N 121.42 -0.8 . . . . 0.0 109.55 179.674 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 121.192 0.52 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.2 95.87 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.857 -1.152 . . . . 0.0 109.739 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -97.14 123.13 40.81 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.261 -0.899 . . . . 0.0 109.493 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.705 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -102.6 168.38 9.31 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.113 -0.992 . . . . 0.0 109.917 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.647 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -160.21 154.37 23.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.097 -1.002 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.41 HG13 HG13 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -110.25 132.29 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.097 -1.002 . . . . 0.0 110.004 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 46' ' ' VAL . 13.1 p -122.21 95.42 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-O 121.998 0.904 . . . . 0.0 109.812 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.17 -100.97 0.69 Allowed Glycine 0 N--CA 1.5 2.912 0 O-C-N 120.767 -1.208 . . . . 0.0 110.306 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.5 t -118.89 24.91 10.57 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.265 -1.138 . . . . 0.0 110.146 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.63 154.46 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.064 -1.022 . . . . 0.0 109.34 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.41 HG13 HG13 ' A' ' 45' ' ' ILE . 1.2 t -118.22 145.99 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.136 -0.978 . . . . 0.0 109.001 179.233 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.8 152.71 43.97 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.561 -0.712 . . . . 0.0 109.506 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.705 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 10.8 pt-20 -121.95 165.16 16.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.101 -0.999 . . . . 0.0 110.006 179.847 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.17 109.64 0.72 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 66.25 0.33 Allowed 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 121.833 0.825 . . . . 0.0 109.915 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.805 0 O-C-N 121.099 -1.001 . . . . 0.0 110.659 -179.738 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 mttt . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 1.2 ttmt -66.57 -65.14 0.72 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.48 -0.762 . . . . 0.0 109.926 179.285 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -44.54 -40.81 5.97 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.085 -1.009 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.444 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -69.73 -44.18 70.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.326 -0.859 . . . . 0.0 109.396 179.196 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -66.21 -54.71 21.93 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.414 -0.804 . . . . 0.0 110.684 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 3.7 mm-40 -51.22 -40.01 57.82 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.551 ' O ' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -59.35 -47.21 86.27 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.235 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.647 ' SD ' ' HB2' ' A' ' 44' ' ' CYS . 48.0 mtp -59.86 -44.25 94.23 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.122 -0.986 . . . . 0.0 109.097 178.548 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.074 HD21 HG22 ' A' ' 13' ' ' VAL . 62.6 mt -58.02 -54.55 45.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.386 -0.821 . . . . 0.0 109.757 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 68' ' ' LYS . 20.5 m -58.83 -24.76 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.861 -1.149 . . . . 0.0 109.332 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.07 -63.62 1.35 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.713 -0.617 . . . . 0.0 109.926 179.31 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.401 HD23 HG21 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -64.14 -21.37 66.52 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.834 -1.166 . . . . 0.0 110.747 179.912 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.18 17.1 1.73 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.796 -1.19 . . . . 0.0 110.145 179.16 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -13.17 9.97 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.342 -0.849 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.964 -179.7 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo . . . . . 0 CA--C 1.54 0.792 0 N-CA-C 110.443 -0.637 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.634 ' HB ' ' CD2' ' A' ' 14' ' ' HIS . 10.0 mm 60.21 1.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 120.931 -1.105 . . . . 0.0 112.215 178.412 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -35.41 -72.04 0.06 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.003 -1.061 . . . . 0.0 112.24 -179.373 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -40.15 -43.87 1.72 Allowed 'General case' 0 N--CA 1.507 2.409 0 O-C-N 121.267 -0.896 . . . . 0.0 111.631 -178.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.86 HG22 HD21 ' A' ' 70' ' ' LEU . 20.8 t -72.78 -39.62 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 120.722 -1.236 . . . . 0.0 109.183 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.634 ' CD2' ' HB ' ' A' ' 10' ' ' ILE . 32.2 m-70 -64.45 -43.29 94.75 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.268 -0.895 . . . . 0.0 108.88 178.692 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 19.2 mt-10 -55.25 -53.74 52.24 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.247 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.821 HD12 ' CD1' ' A' ' 70' ' ' LEU . 75.2 mt -67.13 -43.54 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.225 -0.922 . . . . 0.0 109.532 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.64 -58.75 11.21 Favored Glycine 0 N--CA 1.501 2.992 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -36.23 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.367 -1.078 . . . . 0.0 109.45 178.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -51.34 -33.28 28.77 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.361 -0.837 . . . . 0.0 109.643 178.945 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.67 20.84 13.82 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.317 -0.865 . . . . 0.0 110.185 179.734 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 55.67 40.82 30.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.194 -0.941 . . . . 0.0 109.607 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.9 mtp -101.64 141.28 34.74 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.089 -1.007 . . . . 0.0 110.684 -179.309 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -76.4 118.84 19.5 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.19 -0.944 . . . . 0.0 109.683 179.613 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -105.78 112.46 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.479 -0.763 . . . . 0.0 109.657 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.698 ' HB2' HG22 ' A' ' 45' ' ' ILE . 14.7 m-70 -128.45 133.59 48.56 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.006 -1.059 . . . . 0.0 110.121 -179.584 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.404 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 10.2 m-85 -120.76 140.38 51.77 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.221 -0.924 . . . . 0.0 110.016 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -158.02 165.38 35.24 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.949 -1.095 . . . . 0.0 110.068 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 5.6 t -103.12 154.18 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.896 -1.127 . . . . 0.0 109.468 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.727 HD21 ' CB ' ' A' ' 43' ' ' ALA . 3.7 mt -105.72 -38.61 6.34 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.21 -0.931 . . . . 0.0 109.823 -179.526 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 . . . . . 0 N--CA 1.495 1.81 0 O-C-N 121.293 -0.879 . . . . 0.0 110.026 -179.755 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 121.544 0.688 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.9 mm -75.05 100.51 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.188 -0.945 . . . . 0.0 108.632 179.327 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 53.6 m -99.14 127.81 45.16 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.237 -0.914 . . . . 0.0 110.003 -179.158 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.727 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -108.76 149.89 28.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.434 -0.791 . . . . 0.0 109.531 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.404 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 28.5 p -137.69 155.23 49.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 0.0 110.056 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.698 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.9 tt -133.06 133.58 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.53 -0.731 . . . . 0.0 109.167 179.45 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 23' ' ' THR . 72.2 t -131.07 102.18 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.205 -0.934 . . . . 0.0 109.359 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . 55.92 58.88 11.94 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -179.862 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 t 81.53 -32.36 0.1 Allowed 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.603 -0.94 . . . . 0.0 111.744 179.44 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.627 HD13 ' CD2' ' A' ' 73' ' ' LEU . 6.5 mt -71.54 135.11 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.631 -1.293 . . . . 0.0 109.83 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.507 HG22 HG13 ' A' ' 45' ' ' ILE . 1.6 t -122.34 150.13 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.217 -0.927 . . . . 0.0 109.973 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.498 ' OG1' ' HG3' ' A' ' 69' ' ' MET . 3.3 m -160.41 146.87 15.51 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.333 -0.855 . . . . 0.0 109.354 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -109.26 163.21 13.58 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.115 -0.991 . . . . 0.0 110.861 -179.04 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.681 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -135.84 107.1 0.6 Allowed Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 -179.636 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 17.7 pm0 -70.86 67.57 0.4 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.926 0.87 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.948 0 O-C-N 120.162 -1.586 . . . . 0.0 112.223 -178.658 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.8 mttt . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.615 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 9.3 mmtt -71.53 -63.67 1.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.195 -0.941 . . . . 0.0 108.94 179.095 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -48.58 -38.71 21.44 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.197 -0.939 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.681 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -67.73 -47.74 68.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.059 -1.026 . . . . 0.0 109.642 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.553 ' HB1' ' CG2' ' A' ' 13' ' ' VAL . . . -66.62 -46.54 75.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.443 -0.786 . . . . 0.0 110.636 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 11.9 mm-40 -53.78 -41.92 67.75 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.225 -0.922 . . . . 0.0 109.45 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' HG12 ' A' ' 71' ' ' VAL . 1.2 mtmt -62.73 -58.0 9.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.612 -0.68 . . . . 0.0 109.362 179.209 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.498 ' HG3' ' OG1' ' A' ' 51' ' ' THR . 3.3 ttm -58.47 -40.27 82.2 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.246 -0.909 . . . . 0.0 110.73 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.86 HD21 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -65.32 -55.21 19.52 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.971 -1.081 . . . . 0.0 110.578 -179.32 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 68' ' ' LYS . 7.7 p -56.98 -32.65 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.141 -0.974 . . . . 0.0 109.978 -179.85 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.43 -47.2 16.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.76 -1.212 . . . . 0.0 109.547 179.172 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.627 ' CD2' HD13 ' A' ' 49' ' ' ILE . 54.0 mt -59.35 -36.74 76.29 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.096 -1.002 . . . . 0.0 110.307 179.414 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.56 -18.19 57.15 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.22 -0.925 . . . . 0.0 109.897 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.08 -19.76 15.65 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.293 -0.879 . . . . 0.0 109.949 179.767 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 CA--C 1.554 1.122 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.916 -179.567 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HG3' ' HG2' ' A' ' 67' ' ' GLU . 32.6 Cg_endo . . . . . 0 CA--C 1.537 0.65 0 N-CA-C 111.254 -0.326 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.443 ' O ' HG12 ' A' ' 13' ' ' VAL . 49.2 mm -57.04 -52.07 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.069 -1.019 . . . . 0.0 109.614 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -43.36 63.09 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.962 -1.086 . . . . 0.0 109.642 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.92 -44.19 93.66 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.253 -0.905 . . . . 0.0 110.774 -179.606 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.659 HG13 HG11 ' A' ' 24' ' ' VAL . 2.3 p -61.0 -45.76 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 120.754 -1.216 . . . . 0.0 108.731 179.084 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.492 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 13.6 m-70 -62.47 -40.26 96.08 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.45 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.7 OUTLIER -59.4 -56.97 15.27 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.571 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.4 mt -53.47 -43.79 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.46 -0.775 . . . . 0.0 109.61 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.59 -46.02 91.32 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.2 mt -70.17 -43.3 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.612 -0.934 . . . . 0.0 110.117 179.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.417 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 0.2 OUTLIER -65.5 -26.01 67.72 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.137 -0.977 . . . . 0.0 110.051 179.688 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 6.5 mmt180 -100.39 -71.03 0.72 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.187 -0.945 . . . . 0.0 110.08 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.53 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 168.26 -32.64 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.517 -0.74 . . . . 0.0 110.446 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.51 ' HG3' ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -59.43 124.12 19.01 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.229 -0.919 . . . . 0.0 111.099 -178.868 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.38 129.65 37.71 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.216 -0.928 . . . . 0.0 109.491 179.281 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.659 HG11 HG13 ' A' ' 13' ' ' VAL . 89.3 t -98.68 114.44 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.403 -0.811 . . . . 0.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.692 ' HB2' HG22 ' A' ' 45' ' ' ILE . 12.1 m-70 -129.83 126.55 38.31 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.073 -1.017 . . . . 0.0 110.401 -179.493 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.618 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 57.7 m-85 -105.37 140.99 37.64 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.439 -0.788 . . . . 0.0 110.025 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -147.61 132.13 17.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.152 -0.968 . . . . 0.0 109.833 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.8 t -95.61 149.45 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.141 -0.974 . . . . 0.0 109.214 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -100.79 -51.5 3.55 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.061 -1.024 . . . . 0.0 110.01 -179.473 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 . . . . . 0 N--CA 1.497 1.879 0 O-C-N 121.298 -0.876 . . . . 0.0 109.983 -179.896 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 121.41 0.624 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.454 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 2.1 mp -90.55 92.06 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.119 -0.988 . . . . 0.0 109.926 -179.809 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.1 m -93.51 122.01 35.5 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.223 -0.923 . . . . 0.0 109.664 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -97.31 159.99 14.59 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.257 -0.902 . . . . 0.0 109.491 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.618 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -143.51 147.06 33.92 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.098 -1.001 . . . . 0.0 110.526 -179.731 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.692 HG22 ' HB2' ' A' ' 25' ' ' HIS . 16.4 tt -122.75 145.28 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.035 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.673 HG11 HD11 ' A' ' 73' ' ' LEU . 13.5 p -140.96 100.99 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 121.855 0.836 . . . . 0.0 109.717 -179.58 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.51 ' HA3' ' HG3' ' A' ' 22' ' ' MET . . . 62.86 -99.78 0.29 Allowed Glycine 0 N--CA 1.502 3.037 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.648 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.9 p -117.17 15.49 14.96 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.33 -1.1 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.401 ' HB ' ' CG1' ' A' ' 46' ' ' VAL . 48.5 mm -121.51 145.24 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.017 -1.052 . . . . 0.0 109.501 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.486 HG22 HG13 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -132.45 143.67 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.076 -1.015 . . . . 0.0 109.275 179.604 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -145.25 140.49 27.88 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.639 -0.663 . . . . 0.0 110.056 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.5 pm0 -99.04 144.14 28.52 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.968 -1.082 . . . . 0.0 110.065 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -119.96 80.58 0.33 Allowed Glycine 0 N--CA 1.497 2.745 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -179.44 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.483 ' HG3' ' NH1' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -65.35 66.99 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 CA-C-O 121.714 0.768 . . . . 0.0 110.864 179.891 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' GLY . . . . . . . . 0 N--CA 1.499 2.879 0 O-C-N 120.409 -1.432 . . . . 0.0 110.788 -179.636 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp . . . . . 0 N--CA 1.499 1.981 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.547 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 19.9 tttm -69.98 -66.23 0.62 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.12 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.483 ' NH1' ' HG3' ' A' ' 54' ' ' GLU . 18.1 ttt180 -46.94 -39.2 11.87 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.468 -0.77 . . . . 0.0 109.927 178.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.32 -50.33 73.27 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.365 -0.834 . . . . 0.0 109.686 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.37 -48.02 37.54 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.222 -0.923 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.549 ' HG2' ' HG3' ' A' ' 9' ' ' PRO . 3.1 mt-10 -53.56 -41.58 66.65 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.28 -0.888 . . . . 0.0 109.244 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.532 ' HE3' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -62.28 -54.86 34.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.464 -0.772 . . . . 0.0 109.808 179.544 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.516 ' HA ' ' CG ' ' A' ' 72' ' ' GLU . 1.9 ttt -59.21 -39.5 82.88 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.429 -0.794 . . . . 0.0 110.261 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.655 ' CD2' HG23 ' A' ' 13' ' ' VAL . 20.0 mt -57.93 -44.16 86.73 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.134 -0.979 . . . . 0.0 110.962 -179.646 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.532 ' CG2' ' HE3' ' A' ' 68' ' ' LYS . 30.6 m -73.33 -41.67 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.762 -1.211 . . . . 0.0 110.97 -179.264 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.516 ' CG ' ' HA ' ' A' ' 69' ' ' MET . 5.5 pt-20 -68.14 -46.16 71.59 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.72 -1.237 . . . . 0.0 109.628 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.673 HD11 HG11 ' A' ' 46' ' ' VAL . 55.1 mt -59.32 -36.26 75.31 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.093 -1.004 . . . . 0.0 109.375 178.826 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -79.65 0.38 30.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.229 -0.919 . . . . 0.0 110.32 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -113.78 -7.4 13.25 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.899 -1.125 . . . . 0.0 111.153 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 N--CA 1.493 1.701 0 O-C-N 120.901 -1.124 . . . . 0.0 110.125 -179.386 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo . . . . . 0 CA--C 1.542 0.907 0 CA-C-O 120.857 0.274 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mt -136.84 -46.3 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 120.776 -1.203 . . . . 0.0 111.119 -178.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.6 p -44.95 -73.4 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.284 -0.885 . . . . 0.0 111.482 -178.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -58.11 -30.05 65.97 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.939 -1.101 . . . . 0.0 110.338 -179.266 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.019 HG22 HD21 ' A' ' 70' ' ' LEU . 75.4 t -60.75 -41.8 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.62 -1.3 . . . . 0.0 107.817 177.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -65.66 -34.43 78.2 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.592 ' O ' ' HE2' ' A' ' 19' ' ' LYS . 1.9 tm-20 -51.01 -51.12 56.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.614 -0.679 . . . . 0.0 109.217 178.661 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.638 HD13 HD13 ' A' ' 73' ' ' LEU . 14.5 tt -78.88 -38.4 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 120.927 -1.108 . . . . 0.0 110.3 179.493 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.66 -49.37 74.42 Favored Glycine 0 N--CA 1.504 3.231 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.843 HG22 ' O ' ' A' ' 18' ' ' ILE . 2.9 mp -81.66 39.99 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.302 -1.116 . . . . 0.0 109.185 179.221 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.592 ' HE2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -144.85 -46.53 0.24 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.455 -1.403 . . . . 0.0 109.808 -179.547 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -98.92 35.15 1.93 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.119 -0.988 . . . . 0.0 110.12 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 50.06 39.73 19.84 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.174 -0.954 . . . . 0.0 109.851 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.733 ' HB3' HG22 ' A' ' 46' ' ' VAL . 15.6 mtt -106.31 108.86 20.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.955 -1.091 . . . . 0.0 110.259 -179.35 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.443 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -70.17 86.85 0.57 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.254 -0.904 . . . . 0.0 109.362 179.524 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.013 HG22 HG23 ' A' ' 46' ' ' VAL . 93.0 t -79.27 112.35 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.717 -0.614 . . . . 0.0 109.797 -179.53 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.773 ' HB2' HG22 ' A' ' 45' ' ' ILE . 8.5 m-70 -128.85 151.01 50.09 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.944 -1.098 . . . . 0.0 109.881 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' CB ' ' A' ' 44' ' ' CYS . 78.7 m-85 -130.41 135.98 48.58 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.344 -0.847 . . . . 0.0 110.133 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 12.5 tmtt? -154.22 126.71 8.01 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.135 -0.978 . . . . 0.0 110.124 179.777 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.773 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 46.0 t -76.07 135.29 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.97 -1.081 . . . . 0.0 109.439 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.748 HD21 ' HB2' ' A' ' 43' ' ' ALA . 7.5 mt -73.75 -60.97 2.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.02 -1.05 . . . . 0.0 109.603 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 121.451 0.643 . . . . 0.0 110.39 -179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 121.368 0.604 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.692 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 3.0 mp -77.99 98.11 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.001 -1.062 . . . . 0.0 109.575 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.773 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 57.9 m -102.54 128.16 49.3 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.175 -0.953 . . . . 0.0 109.738 -179.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.748 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -100.73 149.36 23.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.128 -0.983 . . . . 0.0 109.656 179.479 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.588 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 31.3 p -132.71 140.81 48.27 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.829 ' HA ' HG11 ' A' ' 50' ' ' VAL . 16.6 tt -126.34 136.6 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-O 121.071 0.462 . . . . 0.0 110.3 -179.26 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 1.013 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -135.56 148.05 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.223 -0.923 . . . . 0.0 109.616 179.78 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . -42.77 126.51 4.74 Favored Glycine 0 N--CA 1.502 3.039 0 O-C-N 121.206 -0.934 . . . . 0.0 110.867 -179.36 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 11.8 p 97.49 -56.21 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 122.811 0.444 . . . . 0.0 111.402 179.599 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.682 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -163.29 -170.47 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 120.664 -1.273 . . . . 0.0 109.983 -179.425 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.829 HG11 ' HA ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER 172.37 -162.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.161 -0.962 . . . . 0.0 111.474 179.368 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.782 ' N ' HG13 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -168.92 -176.44 2.66 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.455 -0.778 . . . . 0.0 109.737 -179.929 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.586 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.7 mp0 -114.53 -176.93 3.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.01 -1.056 . . . . 0.0 110.066 -179.496 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.84 105.24 0.27 Allowed Glycine 0 N--CA 1.497 2.754 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.572 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.692 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 1.3 pm0 -84.13 52.46 2.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.44 -1.035 . . . . 0.0 110.098 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.12 0 O-C-N 121.021 -1.05 . . . . 0.0 110.843 -179.992 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm . . . . . 0 N--CA 1.492 1.638 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.644 ' HE2' ' OE2' ' A' ' 67' ' ' GLU . 30.3 tttt -57.7 -38.18 74.78 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.348 -0.845 . . . . 0.0 110.289 179.284 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -52.92 27.32 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.921 -1.112 . . . . 0.0 109.494 179.694 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.91 94.4 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 109.255 179.488 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.34 65.86 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.322 -0.861 . . . . 0.0 110.038 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.644 ' OE2' ' HE2' ' A' ' 63' ' ' LYS . 5.2 mt-10 -56.16 -39.28 72.09 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.165 -0.959 . . . . 0.0 109.223 179.111 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.694 ' HE2' ' OG1' ' A' ' 51' ' ' THR . 1.9 tptt -63.45 -43.61 96.9 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.709 ' HG2' HD23 ' A' ' 73' ' ' LEU . 22.2 ttm -67.67 -50.68 56.54 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.274 -0.891 . . . . 0.0 109.32 178.474 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.019 HD21 HG22 ' A' ' 13' ' ' VAL . 90.0 mt -51.18 -49.35 61.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.363 -0.836 . . . . 0.0 110.104 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 68' ' ' LYS . 5.7 p -67.55 -34.75 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.913 -1.117 . . . . 0.0 109.408 179.516 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.412 ' OE2' ' HE2' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -62.81 -48.87 77.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.481 -0.762 . . . . 0.0 109.624 179.368 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.709 HD23 ' HG2' ' A' ' 69' ' ' MET . 1.2 pp -79.56 -28.99 41.17 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.056 -1.028 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -75.27 4.79 6.45 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.748 -1.22 . . . . 0.0 110.381 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.29 -3.47 15.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.887 -1.133 . . . . 0.0 110.589 179.754 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.166 -179.878 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.455 ' O ' ' HB ' ' A' ' 13' ' ' VAL . 33.1 Cg_endo . . . . . 0 CA--C 1.535 0.552 0 N-CA-C 110.619 -0.57 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.68 -42.32 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.396 -0.815 . . . . 0.0 109.01 179.025 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.49 -62.16 1.58 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.323 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.492 ' HA ' ' CD ' ' A' ' 15' ' ' GLU . 24.3 mt-30 -50.6 -40.94 54.02 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.388 -0.82 . . . . 0.0 111.253 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.707 HG21 ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -66.4 -40.31 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 120.539 -1.351 . . . . 0.0 109.128 179.721 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.485 ' O ' ' HB ' ' A' ' 18' ' ' ILE . 10.6 m-70 -73.69 -28.93 61.99 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.76 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 4.1 mt-10 -55.25 -52.39 63.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.475 -0.765 . . . . 0.0 109.395 178.762 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -100.91 -34.94 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.193 -0.942 . . . . 0.0 110.128 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.587 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -64.33 -36.48 93.25 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 178.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.629 HG22 ' N ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -99.99 -61.5 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.306 -1.114 . . . . 0.0 108.193 178.664 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.629 ' N ' HG22 ' A' ' 18' ' ' ILE . 4.3 ttmt 35.62 -94.75 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.019 0.438 . . . . 0.0 110.332 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ILE . 2.4 ppt_? -164.43 27.44 0.07 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.109 -0.995 . . . . 0.0 109.709 178.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.14 -3.9 0.42 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.994 -1.066 . . . . 0.0 111.72 -179.348 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 3.1 mmt -133.9 140.48 46.84 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.848 -1.158 . . . . 0.0 109.208 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.404 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -93.26 82.53 4.52 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.865 -1.147 . . . . 0.0 110.904 -178.878 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.834 HG22 HG12 ' A' ' 46' ' ' VAL . 41.4 t -94.97 108.07 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.732 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -134.85 145.07 47.95 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.943 -1.098 . . . . 0.0 111.2 -178.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.495 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 72.6 m-85 -122.84 112.81 18.33 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -123.84 136.77 54.59 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.399 -0.813 . . . . 0.0 109.886 -179.446 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.433 HG22 ' OG1' ' A' ' 42' ' ' THR . 44.1 t -85.47 156.67 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.904 -1.122 . . . . 0.0 109.688 179.564 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 43' ' ' ALA . 7.3 mt -99.81 -38.52 8.63 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.016 -1.053 . . . . 0.0 109.587 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.504 -0.748 . . . . 0.0 110.333 -179.794 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' O ' ' C ' ' A' ' 41' ' ' ILE . 24.3 m-85 . . . . . 0 N--CA 1.508 2.449 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.564 ' C ' ' O ' ' A' ' 40' ' ' PHE . 93.7 mt -16.76 107.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.682 0 CA-C-O 121.355 0.598 . . . . 0.0 111.306 179.746 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.783 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -95.26 135.92 36.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.506 -0.746 . . . . 0.0 109.082 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.786 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -94.2 126.4 39.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.842 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.495 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 20.7 p -121.56 147.52 45.7 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.826 -1.172 . . . . 0.0 110.373 -179.615 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.578 ' HB ' HG13 ' A' ' 50' ' ' VAL . 19.2 tt -134.9 145.41 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.511 -0.743 . . . . 0.0 109.868 -179.805 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.834 HG12 HG22 ' A' ' 24' ' ' VAL . 15.6 m -140.9 97.63 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.486 -0.759 . . . . 0.0 109.821 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 68.55 -95.86 0.4 Allowed Glycine 0 N--CA 1.502 3.041 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -119.38 14.2 12.84 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.4 -1.059 . . . . 0.0 110.841 -179.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.432 ' HB ' HG23 ' A' ' 46' ' ' VAL . 98.5 mt -119.87 134.7 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.881 -1.137 . . . . 0.0 109.639 179.844 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.578 HG13 ' HB ' ' A' ' 45' ' ' ILE . 0.4 OUTLIER -129.58 143.02 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.148 -0.97 . . . . 0.0 109.486 179.766 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.58 139.26 18.82 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.518 -0.738 . . . . 0.0 109.397 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 22.4 mt-10 -115.79 149.9 37.79 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.855 -1.153 . . . . 0.0 110.254 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . 156.75 160.34 10.02 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.571 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 2.8 tt0 173.75 -107.83 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.381 -1.07 . . . . 0.0 109.758 -179.508 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.476 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.907 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.005 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -88.5 -63.21 1.33 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.396 -0.815 . . . . 0.0 109.748 179.267 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.455 ' HB3' ' HG2' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -51.27 -57.58 8.47 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.619 -0.676 . . . . 0.0 112.153 -178.554 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.783 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -53.81 -38.77 64.89 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.793 -1.192 . . . . 0.0 109.126 -179.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.69 77.07 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.269 -0.894 . . . . 0.0 109.558 178.848 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -48.74 -48.36 40.77 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.389 -0.819 . . . . 0.0 109.108 179.166 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.449 ' O ' HG12 ' A' ' 71' ' ' VAL . 6.7 tmtt? -63.94 -46.47 84.59 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.712 -0.617 . . . . 0.0 109.96 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.538 ' HE1' HG22 ' A' ' 46' ' ' VAL . 2.7 mmt -62.84 -58.38 7.6 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.005 -1.059 . . . . 0.0 109.663 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.707 ' CD2' HG21 ' A' ' 13' ' ' VAL . 1.8 mm? -47.63 -53.19 15.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.46 -0.775 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 68' ' ' LYS . 8.9 p -63.14 -31.18 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.032 -1.042 . . . . 0.0 110.312 -179.704 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.57 -54.33 9.46 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.117 -0.99 . . . . 0.0 109.99 179.615 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.61 -29.21 66.67 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.002 -1.061 . . . . 0.0 110.985 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -82.7 4.51 24.74 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.98 -1.075 . . . . 0.0 110.754 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.14 -0.84 8.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.971 -1.081 . . . . 0.0 110.907 -179.352 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 N--CA 1.488 1.457 0 O-C-N 121.145 -0.972 . . . . 0.0 110.073 -179.128 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo . . . . . 0 CA--C 1.544 1.006 0 CA-C-O 121.193 0.414 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 11' ' ' SER . 4.3 mt -138.78 -80.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.906 -1.122 . . . . 0.0 110.125 179.006 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.412 ' N ' HG22 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -51.58 -59.01 4.74 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.032 -1.043 . . . . 0.0 109.41 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -46.69 -42.48 16.58 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.501 -0.75 . . . . 0.0 110.058 178.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.81 HG22 HD11 ' A' ' 70' ' ' LEU . 99.5 t -63.59 -46.51 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.145 -0.972 . . . . 0.0 109.027 179.452 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.902 ' HA ' HG21 ' A' ' 24' ' ' VAL . 9.4 m-70 -61.19 -45.95 92.48 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.782 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -60.06 -50.99 71.55 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.664 -0.647 . . . . 0.0 109.725 179.22 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.71 -36.48 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.06 -1.025 . . . . 0.0 109.065 179.282 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.04 -42.14 96.81 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.626 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -85.75 -38.11 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 120.912 -1.346 . . . . 0.0 109.134 179.438 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -56.26 -26.31 51.17 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.263 -0.898 . . . . 0.0 110.644 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -109.99 -76.29 0.61 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.168 -0.958 . . . . 0.0 109.62 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 168.4 47.93 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.439 -0.788 . . . . 0.0 109.793 -179.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.515 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 26.7 mtt -131.18 118.68 20.8 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.704 -1.247 . . . . 0.0 111.079 -179.302 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -68.17 106.18 2.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.189 -0.944 . . . . 0.0 108.816 178.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.902 HG21 ' HA ' ' A' ' 14' ' ' HIS . 18.4 t -72.9 103.73 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.166 -0.959 . . . . 0.0 109.629 -179.453 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.603 ' HB2' HG22 ' A' ' 45' ' ' ILE . 5.1 m-70 -124.09 112.5 17.2 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.878 -1.139 . . . . 0.0 109.836 -179.289 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 9.8 m-85 -119.63 119.43 33.73 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.522 -0.736 . . . . 0.0 109.963 -179.158 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.622 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 8.3 tttm -142.1 141.46 32.72 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.767 -1.208 . . . . 0.0 111.269 -179.627 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.682 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.0 t -79.09 140.51 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 O-C-N 121.156 -0.965 . . . . 0.0 110.126 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 43' ' ' ALA . 9.8 mt -73.29 -43.15 61.5 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.555 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.345 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 55' ' ' GLY . 64.7 m-85 . . . . . 0 N--CA 1.5 2.037 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.2 mt -140.74 120.46 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.264 -0.897 . . . . 0.0 108.857 179.401 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 89.0 m -107.32 122.43 46.55 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.208 -0.933 . . . . 0.0 109.55 -179.762 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.686 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -100.4 148.25 24.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.319 -0.863 . . . . 0.0 109.956 -179.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.55 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 1.2 p -138.49 145.73 41.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.371 -0.831 . . . . 0.0 109.362 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.657 HG13 HG22 ' A' ' 50' ' ' VAL . 18.6 tt -134.48 148.43 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.146 -0.972 . . . . 0.0 109.995 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.515 ' HB ' ' HB3' ' A' ' 22' ' ' MET . 8.9 m -139.23 158.32 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.534 -0.729 . . . . 0.0 109.202 179.479 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.28 67.79 0.03 OUTLIER Glycine 0 N--CA 1.506 3.302 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.1 t 171.13 -41.17 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.708 -0.877 . . . . 0.0 109.746 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.471 HD11 HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -158.83 -177.71 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.28 -0.887 . . . . 0.0 110.455 -179.597 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.657 HG22 HG13 ' A' ' 45' ' ' ILE . 2.7 t -129.53 157.69 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.159 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.502 HG21 ' HB3' ' A' ' 68' ' ' LYS . 1.8 m -150.69 156.04 40.54 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.894 -1.129 . . . . 0.0 110.535 -179.586 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.23 155.59 34.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.059 -1.025 . . . . 0.0 110.182 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.44 110.18 0.87 Allowed Glycine 0 N--CA 1.501 2.979 0 N-CA-C 109.109 -1.597 . . . . 0.0 109.109 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.3 54.93 0.08 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.413 -1.051 . . . . 0.0 112.198 -178.326 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' PHE . . . . . . . . 0 N--CA 1.505 3.236 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 178.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.2 mttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -61.36 1.82 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.431 -0.793 . . . . 0.0 108.998 177.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.533 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 31.1 ttt85 -49.43 -42.79 43.79 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.423 -0.798 . . . . 0.0 110.298 179.578 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.76 73.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 108.534 178.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.409 ' N ' ' HE2' ' A' ' 26' ' ' PHE . . . -75.28 -39.3 59.85 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.427 -0.796 . . . . 0.0 109.906 178.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.533 ' CD ' ' HA ' ' A' ' 64' ' ' ARG . 13.0 mt-10 -48.51 -56.68 7.67 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.502 ' HB3' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -59.61 -50.68 72.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.865 -0.522 . . . . 0.0 109.926 179.006 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.401 ' HG2' ' OG1' ' A' ' 51' ' ' THR . 0.0 OUTLIER -50.08 -54.48 20.17 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.1 -1.0 . . . . 0.0 110.375 179.861 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.81 HD11 HG22 ' A' ' 13' ' ' VAL . 63.8 mt -66.68 -43.41 84.56 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.843 -1.16 . . . . 0.0 110.185 179.793 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 50.6 t -63.24 -29.14 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 O-C-N 121.085 -1.009 . . . . 0.0 110.128 179.654 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' HA ' ' NZ ' ' A' ' 75' ' ' LYS . 15.7 mt-10 -89.16 -42.91 11.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.795 -1.19 . . . . 0.0 109.878 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.471 HD23 HD11 ' A' ' 49' ' ' ILE . 52.0 mt -69.87 -41.71 74.44 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.539 -0.726 . . . . 0.0 110.399 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -75.21 7.38 3.45 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.861 -1.149 . . . . 0.0 110.212 179.394 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -124.52 5.95 8.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.323 -0.861 . . . . 0.0 109.936 -179.844 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.81 -1.091 . . . . 0.0 110.109 -179.662 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo . . . . . 0 CA--C 1.54 0.81 0 CA-C-O 121.026 0.344 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.49 HG23 ' CD2' ' A' ' 14' ' ' HIS . 68.4 mt -137.87 -42.01 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.34 -0.85 . . . . 0.0 110.495 -178.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.43 -64.02 0.77 Allowed 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.275 -0.891 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -55.22 -36.03 65.54 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.351 -0.843 . . . . 0.0 110.471 -179.585 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.69 HG22 HD11 ' A' ' 70' ' ' LEU . 58.8 t -64.97 -43.75 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.581 -1.324 . . . . 0.0 108.491 178.826 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.49 ' CD2' HG23 ' A' ' 10' ' ' ILE . 10.8 m-70 -67.77 -38.71 83.78 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.811 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -66.03 -47.0 75.85 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.123 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.567 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 52.0 mt -58.71 -44.38 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.038 -1.039 . . . . 0.0 109.144 179.131 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.05 -50.83 57.99 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 178.533 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 18' ' ' ILE . 37.5 mm -80.08 64.65 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.234 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -168.07 -38.36 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.283 -0.885 . . . . 0.0 109.728 -179.204 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.2 tpm_? -109.27 -53.22 2.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.097 -1.002 . . . . 0.0 110.525 179.623 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 163.17 -18.64 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.645 0 O-C-N 121.798 -0.564 . . . . 0.0 111.45 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.498 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 1.1 mtp -75.56 127.64 33.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.758 -1.214 . . . . 0.0 111.655 -178.205 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 1.1 m -78.11 132.93 37.9 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.463 -0.773 . . . . 0.0 109.375 179.07 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.3 p -87.47 90.57 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.932 -1.105 . . . . 0.0 109.649 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.572 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 17.5 m-70 -108.42 114.21 27.88 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.786 -1.197 . . . . 0.0 110.288 -179.245 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -106.43 147.52 29.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 110.006 179.786 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -158.21 111.31 2.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.227 -0.921 . . . . 0.0 109.578 179.577 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.546 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 47.9 t -56.86 143.81 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 121.086 -1.009 . . . . 0.0 109.621 -179.741 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.793 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 12.6 mt -72.13 -50.6 26.67 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.277 -0.89 . . . . 0.0 109.131 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 17.8 ptt-85 . . . . . 0 N--CA 1.498 1.931 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.975 179.209 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.639 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.501 2.076 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 1.04 HG23 ' HB2' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -151.88 -76.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.868 -1.145 . . . . 0.0 109.947 -179.436 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.767 ' N ' HG22 ' A' ' 41' ' ' ILE . 8.9 t 141.27 168.74 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.76 0 CA-C-O 121.751 0.786 . . . . 0.0 109.916 -179.537 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.793 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . . . -107.71 153.14 23.37 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.072 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.564 ' HB3' ' SD ' ' A' ' 69' ' ' MET . 54.1 t -146.74 140.51 25.94 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.914 -1.116 . . . . 0.0 110.375 -179.543 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.572 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -127.75 136.06 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.178 -0.952 . . . . 0.0 109.555 179.491 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.498 ' HB ' ' HB3' ' A' ' 22' ' ' MET . 6.7 m -127.52 107.45 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.467 -0.77 . . . . 0.0 109.806 -179.784 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.92 -104.48 0.67 Allowed Glycine 0 N--CA 1.499 2.873 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 p -113.6 16.19 18.74 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.347 -1.09 . . . . 0.0 110.704 -179.7 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.0 mt -123.39 134.53 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.913 -1.117 . . . . 0.0 109.825 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 1.9 t -113.38 152.45 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.074 -1.016 . . . . 0.0 109.21 179.373 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.632 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 3.2 m -159.94 111.35 1.98 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.304 -0.872 . . . . 0.0 109.36 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.597 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . 2.1 pm0 -123.58 164.19 19.5 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.364 -0.835 . . . . 0.0 110.031 -179.24 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.522 ' O ' ' HB ' ' A' ' 41' ' ' ILE . . . -160.66 168.79 36.22 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.869 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.606 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 3.5 mt-10 -139.08 105.04 5.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.487 -1.008 . . . . 0.0 110.712 179.825 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.602 ' H ' HG12 ' A' ' 41' ' ' ILE . . . . . . . . 0 N--CA 1.498 2.825 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 178.24 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.0 mttm . . . . . 0 N--CA 1.503 2.22 0 CA-C-O 122.964 1.364 . . . . 0.0 107.433 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 0.9 OUTLIER -177.68 -60.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 -179.394 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.921 ' HB2' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.08 -39.0 93.09 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.939 178.374 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 1.04 ' HB2' HG23 ' A' ' 41' ' ' ILE . . . -55.5 -50.83 68.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.385 -0.822 . . . . 0.0 109.363 -179.367 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.38 95.22 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.575 -0.703 . . . . 0.0 110.384 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.66 ' HG3' ' HA ' ' A' ' 64' ' ' ARG . 1.7 mt-10 -52.07 -49.73 62.92 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.299 -0.876 . . . . 0.0 108.993 179.289 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HA ' HG12 ' A' ' 71' ' ' VAL . 23.7 tttm -61.03 -51.55 68.71 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.546 -0.721 . . . . 0.0 109.294 178.796 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.632 ' SD ' ' HB ' ' A' ' 51' ' ' THR . 3.0 tpt -53.34 -49.44 67.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.355 -0.84 . . . . 0.0 110.447 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.69 HD11 HG22 ' A' ' 13' ' ' VAL . 56.3 mt -69.76 -51.31 35.12 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.011 -1.055 . . . . 0.0 110.57 -179.477 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 68' ' ' LYS . 3.3 p -58.01 -38.32 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.036 -1.04 . . . . 0.0 110.249 -179.661 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -76.72 -45.45 29.32 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.977 -1.077 . . . . 0.0 109.481 179.375 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.495 HD22 ' CE ' ' A' ' 22' ' ' MET . 21.5 mt -59.67 -30.07 68.5 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.11 -0.994 . . . . 0.0 109.57 179.224 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.57 8.95 17.44 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.213 -0.929 . . . . 0.0 109.845 178.85 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -126.65 -3.52 6.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.05 -1.031 . . . . 0.0 110.978 -179.397 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.409 -0.807 . . . . 0.0 110.431 -179.652 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 13' ' ' VAL . 37.0 Cg_endo . . . . . 0 CA--C 1.546 1.084 0 CA-C-O 120.706 0.211 . . . . 0.0 111.873 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.7 mm -71.66 -61.21 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.7 -1.25 . . . . 0.0 110.412 -179.676 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.7 t -45.21 -60.35 2.16 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.313 -0.867 . . . . 0.0 110.501 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -43.56 34.35 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.292 -0.88 . . . . 0.0 110.802 -179.626 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.056 HG22 HD21 ' A' ' 70' ' ' LEU . 53.6 t -60.63 -44.59 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 120.767 -1.208 . . . . 0.0 108.89 179.29 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.563 ' HA ' HG21 ' A' ' 24' ' ' VAL . 29.0 m-70 -65.87 -43.29 88.81 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.702 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 34.4 mt-10 -58.94 -51.07 71.64 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.424 -0.797 . . . . 0.0 109.436 179.076 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 48.1 mt -65.74 -49.18 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.234 -0.916 . . . . 0.0 109.501 179.822 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.535 ' HA2' ' HG2' ' A' ' 22' ' ' MET . . . -54.69 -46.84 73.66 Favored Glycine 0 N--CA 1.498 2.795 0 N-CA-C 109.816 -1.313 . . . . 0.0 109.816 179.505 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 18' ' ' ILE . 20.7 mm -66.38 -43.43 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.663 -0.904 . . . . 0.0 109.686 179.387 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 9.9 tttt -71.17 -26.53 63.02 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.186 -0.946 . . . . 0.0 110.587 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.594 ' O ' ' HB3' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -89.25 -59.54 2.19 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.089 -1.007 . . . . 0.0 109.996 -179.787 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.594 ' HB3' ' O ' ' A' ' 20' ' ' ARG . 44.0 p-10 145.92 -21.31 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.701 0 CA-C-O 121.23 0.538 . . . . 0.0 109.589 -179.452 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.559 ' HG3' HG13 ' A' ' 46' ' ' VAL . 1.4 ptt? -58.15 137.86 56.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.267 -0.896 . . . . 0.0 111.402 -178.614 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -79.39 103.78 9.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.235 -0.916 . . . . 0.0 109.675 179.49 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.563 HG21 ' HA ' ' A' ' 14' ' ' HIS . 27.2 t -76.51 91.72 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.117 -0.989 . . . . 0.0 109.528 179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.613 ' HB2' HG22 ' A' ' 45' ' ' ILE . 14.3 m-70 -116.35 105.71 12.83 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.07 -1.019 . . . . 0.0 110.377 -179.459 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -90.7 137.97 31.94 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.243 -0.91 . . . . 0.0 109.714 179.503 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' O ' HG23 ' A' ' 42' ' ' THR . 81.8 mttt -140.97 165.77 26.64 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.146 -0.971 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.2 p -131.55 144.35 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.887 -1.133 . . . . 0.0 109.31 179.652 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 8.3 mt -85.95 -60.17 2.09 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.235 -0.916 . . . . 0.0 108.648 179.67 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 9.0 ttp180 . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.501 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 . . . . . 0 N--CA 1.498 1.964 0 CA-C-O 121.342 0.591 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 mt -88.95 117.91 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.079 -1.013 . . . . 0.0 110.011 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 29.8 m -112.1 137.59 49.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.337 -0.852 . . . . 0.0 109.694 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.95 126.91 53.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.182 -0.949 . . . . 0.0 109.586 179.727 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.555 ' HB3' ' HG3' ' A' ' 69' ' ' MET . 46.8 t -114.16 137.1 52.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.069 -1.019 . . . . 0.0 110.08 -179.824 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.733 HD13 ' N ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -117.42 137.16 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.343 -0.848 . . . . 0.0 109.012 179.238 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.733 ' N ' HD13 ' A' ' 45' ' ' ILE . 20.3 t -131.63 107.81 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.385 -0.822 . . . . 0.0 109.69 -179.5 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.72 -94.67 0.09 OUTLIER Glycine 0 N--CA 1.502 3.061 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -126.0 21.15 7.54 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.308 -1.113 . . . . 0.0 110.42 -179.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 mp -127.44 143.58 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.0 -1.063 . . . . 0.0 109.548 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.606 HG22 HG12 ' A' ' 45' ' ' ILE . 1.3 t -122.83 146.61 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.001 -1.062 . . . . 0.0 109.602 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.698 ' HB ' ' HG2' ' A' ' 69' ' ' MET . 23.5 m -140.67 126.05 18.79 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.45 -0.781 . . . . 0.0 109.94 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -95.63 152.51 18.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.332 -0.855 . . . . 0.0 109.802 179.668 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -146.17 122.76 1.71 Allowed Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.239 -1.545 . . . . 0.0 109.239 179.884 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.56 95.32 9.54 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.237 -1.155 . . . . 0.0 109.997 -179.403 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.918 0 N-CA-C 109.779 -1.328 . . . . 0.0 109.779 179.404 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 121.052 0.454 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 16.1 tttm -63.93 -62.28 1.74 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.386 -0.821 . . . . 0.0 110.073 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -55.94 -40.41 73.11 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.43 -0.794 . . . . 0.0 109.942 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.485 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -64.33 -43.86 93.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.328 -0.857 . . . . 0.0 109.445 179.625 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.83 -46.77 70.89 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.289 -0.882 . . . . 0.0 110.044 179.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 41.6 mt-10 -55.72 -47.91 76.08 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.301 -0.874 . . . . 0.0 109.532 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -60.95 -38.34 85.54 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.407 -0.808 . . . . 0.0 109.364 178.835 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.698 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -64.22 -42.65 96.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.987 . . . . 0.0 109.597 179.265 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.056 HD21 HG22 ' A' ' 13' ' ' VAL . 15.8 mt -62.78 -51.11 68.37 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.095 -1.003 . . . . 0.0 110.55 -179.845 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.37 -40.55 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.014 -1.053 . . . . 0.0 110.233 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.452 ' OE1' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -70.57 -51.11 30.68 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.151 -0.968 . . . . 0.0 109.606 179.426 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.465 ' N ' ' CD2' ' A' ' 73' ' ' LEU . 1.1 mm? -69.49 -3.08 13.08 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.229 -0.919 . . . . 0.0 110.988 179.8 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -19.84 60.03 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.523 -1.361 . . . . 0.0 109.856 179.746 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -106.25 -29.2 9.95 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.233 -0.917 . . . . 0.0 110.159 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.9 mt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.511 -179.891 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.501 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.5 Cg_endo . . . . . 0 CA--C 1.542 0.902 0 CA-C-O 121.411 0.505 . . . . 0.0 111.939 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.55 -47.55 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.112 -0.993 . . . . 0.0 109.559 179.143 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.51 -59.32 3.86 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.246 -0.909 . . . . 0.0 110.017 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -51.37 -37.78 49.86 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.51 -0.744 . . . . 0.0 110.555 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.933 HG22 HD21 ' A' ' 70' ' ' LEU . 69.5 t -62.27 -46.65 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.812 -1.18 . . . . 0.0 108.05 178.61 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.849 ' HA ' HG11 ' A' ' 24' ' ' VAL . 35.6 m-70 -64.55 -40.09 94.94 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.134 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 17.1 mt-10 -59.57 -54.93 40.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.584 -0.697 . . . . 0.0 109.367 179.002 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.1 -38.62 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.277 -0.889 . . . . 0.0 109.558 179.764 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.604 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -62.06 -58.35 13.13 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.626 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.26 -43.79 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.264 -1.139 . . . . 0.0 108.563 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 18.8 mmtt -56.24 -33.65 65.61 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.37 -0.831 . . . . 0.0 109.709 178.91 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -97.78 22.25 9.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.264 -0.897 . . . . 0.0 110.212 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.8 37.22 27.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.12 -0.987 . . . . 0.0 110.544 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.649 ' HB3' HG13 ' A' ' 46' ' ' VAL . 5.7 mmt -102.68 156.66 17.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.855 -1.153 . . . . 0.0 110.352 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.467 ' OG1' ' HA ' ' A' ' 46' ' ' VAL . 23.0 p -67.51 -55.53 13.17 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.317 -0.864 . . . . 0.0 110.751 -179.483 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.849 HG11 ' HA ' ' A' ' 14' ' ' HIS . 4.3 t 64.2 65.38 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.543 -0.723 . . . . 0.0 109.823 -179.35 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.87 ' HB2' HG22 ' A' ' 45' ' ' ILE . 5.3 m-70 -110.16 101.47 10.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.69 -1.257 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 44' ' ' CYS . 17.0 m-85 -91.69 121.1 33.03 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.553 -0.717 . . . . 0.0 109.164 179.562 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' A' ' 28' ' ' VAL . 10.8 ttpt -155.29 148.22 24.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.828 -1.17 . . . . 0.0 111.236 -179.609 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 29' ' ' LEU . 49.1 t -96.95 160.64 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.262 -0.898 . . . . 0.0 108.596 178.794 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.419 ' N ' HG12 ' A' ' 28' ' ' VAL . 6.4 mt -98.32 -71.34 0.69 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.889 -1.132 . . . . 0.0 109.61 -179.737 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 N--CA 1.499 1.998 0 CA-C-O 121.548 0.69 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.652 HG12 ' HG2' ' A' ' 54' ' ' GLU . 64.7 mt -83.46 105.04 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.079 -1.013 . . . . 0.0 109.683 178.832 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.8 m -93.35 126.65 38.58 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.871 -1.143 . . . . 0.0 109.111 179.328 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -109.17 139.29 44.28 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.081 -1.012 . . . . 0.0 110.933 -179.279 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . 44.0 t -126.45 127.09 44.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.387 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.87 HG22 ' HB2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -106.11 128.59 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.039 -1.038 . . . . 0.0 110.143 -179.879 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.649 HG13 ' HB3' ' A' ' 22' ' ' MET . 25.2 t -125.61 109.26 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.156 -0.965 . . . . 0.0 109.59 -179.764 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.51 -86.84 0.52 Allowed Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.768 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.3 m -140.17 15.6 2.43 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.354 -1.086 . . . . 0.0 110.593 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.2 mt -133.07 141.17 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.992 -1.068 . . . . 0.0 109.496 179.739 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.623 ' HB ' HG12 ' A' ' 45' ' ' ILE . 1.7 p -115.35 159.05 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.983 -1.073 . . . . 0.0 109.898 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.617 ' OG1' ' HG2' ' A' ' 69' ' ' MET . 54.6 p -133.7 101.79 5.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.607 -0.683 . . . . 0.0 109.606 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 3.4 mp0 -76.62 142.43 40.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.217 -0.927 . . . . 0.0 110.151 -179.821 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.28 93.06 0.4 Allowed Glycine 0 N--CA 1.498 2.832 0 N-CA-C 108.601 -1.8 . . . . 0.0 108.601 179.313 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.652 ' HG2' HG12 ' A' ' 41' ' ' ILE . 4.5 mt-10 -70.26 69.29 0.36 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.84 -0.8 . . . . 0.0 111.126 -178.621 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.909 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 178.965 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt . . . . . 0 N--CA 1.499 2.015 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.48 -56.9 11.13 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 176.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -61.33 -34.63 75.57 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.263 0.554 . . . . 0.0 109.734 178.109 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.04 73.72 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.768 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.79 85.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.556 -0.715 . . . . 0.0 109.184 178.511 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -51.49 -56.53 12.86 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.536 -0.728 . . . . 0.0 109.235 179.103 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.42 -37.66 70.5 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.145 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.617 ' HG2' ' OG1' ' A' ' 51' ' ' THR . 0.4 OUTLIER -66.7 -46.25 76.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.318 -0.864 . . . . 0.0 110.17 179.557 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.933 HD21 HG22 ' A' ' 13' ' ' VAL . 45.2 mt -69.33 -48.29 61.88 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.888 -1.133 . . . . 0.0 110.889 -179.459 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.11 -36.17 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.079 -1.013 . . . . 0.0 110.628 -179.376 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' NZ ' ' A' ' 75' ' ' LYS . 44.1 mm-40 -86.82 -47.27 9.21 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.004 -1.06 . . . . 0.0 110.009 179.48 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.614 HD11 HG11 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -59.49 -20.84 58.34 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.797 -1.189 . . . . 0.0 110.412 179.798 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -98.29 7.71 45.84 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.066 -1.021 . . . . 0.0 108.99 178.537 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -116.5 -27.62 6.69 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.489 -0.757 . . . . 0.0 109.599 179.719 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.734 -179.79 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo . . . . . 0 CA--C 1.543 0.929 0 CA-C-O 121.756 0.648 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.508 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 26.5 mm -105.8 -63.9 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.431 -0.793 . . . . 0.0 109.405 179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -50.64 -44.89 57.56 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.105 -0.997 . . . . 0.0 109.096 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.69 -38.01 77.3 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.332 -0.855 . . . . 0.0 109.717 178.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.783 HG23 HD11 ' A' ' 70' ' ' LEU . 3.6 t -63.28 -44.42 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.749 -1.219 . . . . 0.0 107.786 178.088 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -62.27 -42.49 99.39 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.694 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -59.85 4.54 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.128 0.49 . . . . 0.0 110.924 179.068 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 13' ' ' VAL . 10.6 tt -53.76 -36.22 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.254 -0.903 . . . . 0.0 110.232 -179.34 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.59 ' CA ' ' HA ' ' A' ' 22' ' ' MET . . . -63.23 -57.62 14.69 Favored Glycine 0 N--CA 1.485 1.901 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.015 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 18' ' ' ILE . 3.4 mp -73.71 56.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-O 122.383 1.087 . . . . 0.0 108.845 178.836 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -157.12 -50.68 0.07 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.042 -1.036 . . . . 0.0 109.168 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -112.15 -45.56 3.28 Favored 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.82 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.461 ' C ' ' CG ' ' A' ' 22' ' ' MET . 24.5 m120 -147.3 -90.5 0.09 Allowed 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.151 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.59 ' HA ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -176.6 -76.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 0.0 108.906 178.837 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.782 HG22 ' N ' ' A' ' 47' ' ' GLY . 12.9 p 41.29 81.79 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 CA-C-O 121.566 0.698 . . . . 0.0 111.315 179.484 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' PHE . 21.7 t -74.6 -20.2 16.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.992 -1.068 . . . . 0.0 108.362 178.365 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.686 ' CD2' ' HG2' ' A' ' 69' ' ' MET . 38.5 m80 64.45 -73.34 0.05 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.386 -0.822 . . . . 0.0 111.426 178.116 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 5.4 m-85 -34.91 105.49 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 CA-C-O 121.913 0.863 . . . . 0.0 112.199 -178.816 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.7 tttm -144.63 99.28 3.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.46 -0.775 . . . . 0.0 109.228 179.685 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.69 95.23 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.778 -1.201 . . . . 0.0 109.92 -179.74 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.715 HD23 ' HB2' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -69.53 -32.97 72.12 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.209 -0.932 . . . . 0.0 109.886 179.622 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 . . . . . 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.832 . . . . 0.0 108.818 179.849 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.5 2.069 0 CA-C-O 121.032 0.444 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mm -77.68 86.09 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.321 -0.862 . . . . 0.0 108.838 179.242 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.9 m -87.59 105.17 17.15 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.676 -1.265 . . . . 0.0 108.912 179.896 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.715 ' HB2' HD23 ' A' ' 29' ' ' LEU . . . -71.58 153.71 41.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.528 -0.732 . . . . 0.0 109.922 -179.716 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -136.12 109.64 7.97 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.109 -0.994 . . . . 0.0 109.34 179.482 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -89.61 126.59 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 120.967 -1.083 . . . . 0.0 111.456 -179.02 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.5 p -117.06 79.64 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-O 121.978 0.894 . . . . 0.0 109.905 179.306 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.782 ' N ' HG22 ' A' ' 23' ' ' THR . . . 71.04 -109.82 3.0 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 120.793 -1.192 . . . . 0.0 110.327 179.478 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -97.78 4.65 49.79 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.413 -1.051 . . . . 0.0 110.653 -179.77 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.53 ' HB ' ' CG1' ' A' ' 46' ' ' VAL . 42.1 mm -119.62 153.55 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.968 -1.082 . . . . 0.0 109.24 179.869 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.99 143.86 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.97 -1.081 . . . . 0.0 109.675 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.647 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 34.1 m -146.17 132.91 19.98 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.413 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.618 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.6 mp0 -80.35 153.67 28.23 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.199 -0.938 . . . . 0.0 111.569 -178.477 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.72 107.84 2.31 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.31 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -83.05 76.74 9.82 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.263 -1.139 . . . . 0.0 110.65 -178.895 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.755 0 C-N-CA 119.838 -1.172 . . . . 0.0 110.222 179.448 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.508 ' HD3' HD11 ' A' ' 10' ' ' ILE . 5.6 ptpt . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 120.664 0.269 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 62' ' ' LYS . 13.5 mtpp -73.95 -59.38 2.75 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.771 -1.206 . . . . 0.0 109.423 179.339 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -59.79 -40.72 89.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.524 -0.735 . . . . 0.0 109.665 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -58.84 -45.0 91.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.307 -0.871 . . . . 0.0 109.166 179.153 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.579 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . . . -66.87 -52.54 42.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.377 -0.827 . . . . 0.0 109.815 179.656 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.43 -48.18 65.92 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.471 -0.768 . . . . 0.0 109.435 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 8.7 mtpt -51.44 -51.52 54.16 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.291 -0.881 . . . . 0.0 110.288 179.368 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.686 ' HG2' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -72.96 -56.5 5.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.28 -0.888 . . . . 0.0 110.372 -179.464 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.783 HD11 HG23 ' A' ' 13' ' ' VAL . 12.5 mt -50.92 -46.79 60.9 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.297 -0.877 . . . . 0.0 110.369 -179.669 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.3 t -60.68 -45.68 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.084 -1.01 . . . . 0.0 109.328 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.19 -54.73 29.09 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.415 -0.803 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pp -73.14 -2.26 20.8 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.991 -1.068 . . . . 0.0 112.052 -179.249 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -12.8 61.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.294 -1.504 . . . . 0.0 110.296 179.499 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -127.97 0.49 5.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.032 -1.042 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 N--CA 1.486 1.351 0 O-C-N 121.253 -0.904 . . . . 0.0 109.938 -179.411 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 36.6 Cg_endo . . . . . 0 CA--C 1.54 0.822 0 N-CA-C 110.857 -0.478 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.7 mt -53.34 -38.13 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.33 -0.856 . . . . 0.0 110.013 179.715 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -62.95 1.31 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.209 -0.932 . . . . 0.0 109.659 179.376 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.489 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -48.57 -42.58 34.1 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.578 -0.701 . . . . 0.0 110.548 179.909 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.006 HG22 HD21 ' A' ' 70' ' ' LEU . 35.4 t -58.6 -50.04 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.047 -1.033 . . . . 0.0 109.367 179.719 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -67.5 -37.14 82.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.819 . . . . 0.0 109.273 179.073 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.593 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 43.3 mt-10 -64.74 -37.86 89.03 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.481 -0.762 . . . . 0.0 110.532 -179.849 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.3 mt -78.69 -42.03 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.871 -1.143 . . . . 0.0 108.845 179.787 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.425 ' HA3' HG23 ' A' ' 24' ' ' VAL . . . -66.02 -56.46 14.2 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 178.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.7 mt -80.99 76.62 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.399 -1.059 . . . . 0.0 108.89 178.873 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -169.59 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.867 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.599 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -104.76 -57.5 2.02 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.197 -0.939 . . . . 0.0 109.498 178.849 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 9.6 t30 177.42 56.12 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.694 -0.629 . . . . 0.0 109.955 179.487 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 14.4 mtt -152.06 115.54 4.79 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.84 -1.163 . . . . 0.0 110.807 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.469 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -81.79 103.66 11.63 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.05 -1.031 . . . . 0.0 109.284 179.354 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.553 HG22 HG13 ' A' ' 46' ' ' VAL . 59.0 t -86.4 120.04 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.269 -0.894 . . . . 0.0 110.093 -179.532 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.492 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 94.9 m-70 -142.02 113.15 7.53 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.334 -0.854 . . . . 0.0 109.491 179.505 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -79.7 149.69 31.11 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.413 -0.805 . . . . 0.0 110.313 -179.403 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.7 97.25 2.59 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.846 -1.159 . . . . 0.0 110.563 -179.736 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 13.3 p -72.29 127.89 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.037 -1.039 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 6.4 mt -79.87 -38.62 32.33 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.133 -0.979 . . . . 0.0 108.993 179.213 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.507 2.406 0 CA-C-O 121.759 0.79 . . . . 0.0 111.381 179.056 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.425 ' HB2' ' HA ' ' A' ' 30' ' ' ARG . 25.8 m-85 . . . . . 0 N--CA 1.502 2.171 0 CA-C-O 121.045 0.45 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.476 ' HB ' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -57.04 128.48 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.964 -1.085 . . . . 0.0 109.566 -179.468 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.707 ' C ' ' HB2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -114.97 159.13 21.11 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.249 -0.907 . . . . 0.0 108.814 -179.833 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.564 ' N ' ' HB2' ' A' ' 52' ' ' GLU . . . -143.87 102.03 3.84 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.863 -1.148 . . . . 0.0 110.437 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.672 ' CB ' ' HG3' ' A' ' 52' ' ' GLU . 41.9 t -104.89 151.87 23.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.033 -1.042 . . . . 0.0 109.625 179.749 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.68 ' HA ' HG13 ' A' ' 50' ' ' VAL . 16.1 tt -114.66 132.2 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.465 -0.772 . . . . 0.0 108.929 178.865 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.553 HG13 HG22 ' A' ' 24' ' ' VAL . 85.0 t -142.27 88.86 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.409 -0.807 . . . . 0.0 109.437 -179.842 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.05 -100.56 0.65 Allowed Glycine 0 N--CA 1.5 2.907 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 p -104.19 -21.81 13.49 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.35 -1.088 . . . . 0.0 110.789 -179.534 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.574 HD12 HD22 ' A' ' 73' ' ' LEU . 91.8 mt -93.22 132.45 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.912 -1.118 . . . . 0.0 109.392 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.78 HG12 ' H ' ' A' ' 51' ' ' THR . 2.0 t -130.86 -172.26 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.284 -0.885 . . . . 0.0 109.153 179.438 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.78 ' H ' HG12 ' A' ' 50' ' ' VAL . 23.7 m 78.29 159.37 0.19 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -178.136 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 1.006 ' HG2' ' HB1' ' A' ' 65' ' ' ALA . 1.9 mt-10 -124.59 -57.24 1.56 Allowed 'General case' 0 C--N 1.294 -1.817 0 O-C-N 120.257 -1.527 . . . . 0.0 109.442 -179.046 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.75 -172.97 29.62 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -104.04 84.09 2.19 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.265 -1.138 . . . . 0.0 109.051 179.725 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.564 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.212 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.502 2.125 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.28 -59.0 2.2 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.481 -1.387 . . . . 0.0 111.054 -179.495 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.454 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 4.3 mmt180 -59.76 -39.69 85.65 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.122 -0.986 . . . . 0.0 109.85 -179.763 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 1.006 ' HB1' ' HG2' ' A' ' 52' ' ' GLU . . . -63.83 -54.31 36.98 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.19 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.47 71.93 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.32 -0.863 . . . . 0.0 109.22 178.649 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.733 ' O ' HG22 ' A' ' 71' ' ' VAL . 14.7 mt-10 -53.71 -42.76 68.39 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.31 0.576 . . . . 0.0 109.804 179.507 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -73.75 -53.93 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.624 -0.673 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.0 mmt -47.82 -45.96 30.36 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 0.0 110.821 179.811 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.006 HD21 HG22 ' A' ' 13' ' ' VAL . 12.9 mt -70.1 -56.52 6.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.864 -1.147 . . . . 0.0 111.124 -179.12 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 67' ' ' GLU . 26.8 m -56.57 -42.43 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.851 -1.156 . . . . 0.0 110.436 -179.431 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -55.83 14.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.002 -1.061 . . . . 0.0 109.707 179.687 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.574 HD22 HD12 ' A' ' 49' ' ' ILE . 1.6 mm? -58.04 -30.57 66.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.076 -1.015 . . . . 0.0 110.154 179.836 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -52.06 -35.59 47.84 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.167 -0.958 . . . . 0.0 108.697 178.78 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -161.86 79.29 0.55 Allowed 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.636 0.731 . . . . 0.0 109.762 178.32 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.285 -2.219 0 CA-C-O 117.779 -1.105 . . . . 0.0 110.544 179.715 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.513 ' O ' HG23 ' A' ' 13' ' ' VAL . 30.0 Cg_endo . . . . . 0 N--CA 1.479 0.642 0 N-CA-C 110.387 -0.659 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 mt -54.41 -51.22 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.129 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.2 -46.91 82.46 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.359 -0.838 . . . . 0.0 109.613 178.878 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.67 -44.51 96.37 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.091 -1.006 . . . . 0.0 108.744 179.021 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.674 HG12 HG11 ' A' ' 24' ' ' VAL . 92.3 t -57.82 -42.19 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 177.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.533 ' HB3' HD12 ' A' ' 18' ' ' ILE . 10.2 m170 -61.99 -49.18 77.1 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.406 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.601 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 2.4 mm-40 -51.78 -38.55 56.0 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.623 -0.673 . . . . 0.0 110.565 179.582 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.571 HG22 ' CB ' ' A' ' 21' ' ' ASN . 18.2 mt -86.52 -57.78 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.011 -1.055 . . . . 0.0 110.214 -179.313 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.431 ' HA3' HG13 ' A' ' 24' ' ' VAL . . . -55.46 -49.23 65.61 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.805 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 14' ' ' HIS . 54.0 mt -81.53 56.99 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.248 -1.149 . . . . 0.0 109.273 179.283 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.601 ' NZ ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -155.92 -67.71 0.11 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.844 -1.16 . . . . 0.0 108.996 179.919 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.88 45.31 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.58 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.571 ' CB ' HG22 ' A' ' 16' ' ' ILE . 13.6 t-20 -121.43 -78.42 0.6 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.0 110.082 -179.274 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.843 ' HG2' HD12 ' A' ' 45' ' ' ILE . 3.3 tpt -157.22 155.9 31.63 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.032 -1.042 . . . . 0.0 110.131 -178.299 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.571 ' O ' ' HE2' ' A' ' 22' ' ' MET . 0.2 OUTLIER -62.01 123.61 18.57 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.136 -0.978 . . . . 0.0 110.093 179.514 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.674 HG11 HG12 ' A' ' 13' ' ' VAL . 1.5 m -89.08 76.43 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.726 -1.234 . . . . 0.0 111.22 -179.697 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.725 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 88.8 m-70 -81.99 95.72 7.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 109.108 178.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.665 ' CE1' HG11 ' A' ' 13' ' ' VAL . 16.6 m-85 -97.87 120.71 38.75 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.168 -0.957 . . . . 0.0 109.722 -179.852 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 1.6 pttt -165.54 138.64 4.39 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.974 -1.079 . . . . 0.0 111.049 -179.917 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.701 HG22 ' OG1' ' A' ' 42' ' ' THR . 97.7 t -82.14 152.87 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.091 -1.006 . . . . 0.0 108.62 178.623 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 52' ' ' GLU . 9.6 mt -93.63 -57.58 2.53 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.892 -1.13 . . . . 0.0 109.406 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 . . . . . 0 N--CA 1.5 2.05 0 O-C-N 121.764 -0.585 . . . . 0.0 110.175 -179.822 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.768 HD11 ' HG3' ' A' ' 52' ' ' GLU . 17.2 tt -52.35 117.88 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.348 -0.845 . . . . 0.0 109.529 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.701 ' OG1' HG22 ' A' ' 28' ' ' VAL . 22.5 m -117.03 129.11 55.8 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.08 -1.013 . . . . 0.0 109.88 -179.014 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.765 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . . . -105.08 153.77 21.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.128 -0.983 . . . . 0.0 111.059 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.844 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 57.8 m -142.73 162.54 35.19 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.06 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.883 HG13 HG21 ' A' ' 50' ' ' VAL . 9.1 mm 63.32 -76.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.023 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' SER . 5.1 t 54.34 -56.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.651 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 177.055 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 45' ' ' ILE . . . -43.45 85.54 0.01 OUTLIER Glycine 0 N--CA 1.514 3.867 0 O-C-N 121.13 -0.981 . . . . 0.0 112.233 -178.126 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.4 m 62.07 5.02 1.32 Allowed 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.415 -1.05 . . . . 0.0 111.33 179.854 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.841 HG22 HG23 ' A' ' 50' ' ' VAL . 11.3 mt -149.75 160.44 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.975 -1.078 . . . . 0.0 110.226 -179.717 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 1.06 HG11 ' HE1' ' A' ' 69' ' ' MET . 62.0 t 61.44 -114.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.343 -0.848 . . . . 0.0 111.597 179.788 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.659 ' HB ' ' O ' ' A' ' 50' ' ' VAL . 6.4 t 126.6 -154.72 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.239 0 CA-C-N 118.821 0.737 . . . . 0.0 109.269 -179.327 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.768 ' HG3' HD11 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -74.32 174.72 8.45 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.246 1.022 . . . . 0.0 112.132 -179.357 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.76 136.38 6.17 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 108.27 -1.932 . . . . 0.0 108.27 179.203 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.487 ' CD ' HH21 ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.78 80.28 6.19 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.021 -1.282 . . . . 0.0 110.647 -178.87 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.0 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.5 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.887 0 CA-C-O 120.569 0.223 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HE2' ' CG ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -108.31 -56.59 2.23 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.034 -1.041 . . . . 0.0 110.395 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.487 HH21 ' CD ' ' A' ' 54' ' ' GLU . 9.9 ttt180 -53.93 -50.5 66.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.263 -0.898 . . . . 0.0 110.352 -179.496 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -62.67 -49.05 76.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.512 -0.742 . . . . 0.0 109.584 179.736 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.451 ' HA ' ' HG2' ' A' ' 69' ' ' MET . . . -58.53 -51.22 70.79 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.299 -0.876 . . . . 0.0 111.258 -179.477 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' CG ' ' HE2' ' A' ' 63' ' ' LYS . 5.2 mm-40 -51.77 -50.28 60.98 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.176 -0.952 . . . . 0.0 109.778 -179.833 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -53.44 -37.26 62.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.512 -0.743 . . . . 0.0 109.285 179.249 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 1.06 ' HE1' HG11 ' A' ' 50' ' ' VAL . 58.1 mmm -55.85 -50.14 71.41 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.313 -0.867 . . . . 0.0 108.988 178.505 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' A' ' 13' ' ' VAL . 33.8 mt -67.74 -44.7 76.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.499 -0.751 . . . . 0.0 109.316 179.285 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 67' ' ' GLU . 98.1 t -56.05 -45.54 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.586 -0.696 . . . . 0.0 110.124 179.721 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -55.08 6.41 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.455 -0.778 . . . . 0.0 110.429 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 45' ' ' ILE . 73.2 mt -58.71 -30.62 67.56 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.096 -1.003 . . . . 0.0 111.226 -179.214 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -77.88 -6.79 55.44 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.939 -1.101 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HE3' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -118.39 -32.65 4.58 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.802 -1.186 . . . . 0.0 111.194 -179.76 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.551 ' O ' ' HE2' ' A' ' 75' ' ' LYS . 2.4 mt . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 117.28 -1.343 . . . . 0.0 112.628 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -138.89 -163.16 1.42 Allowed 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 119.63 -0.828 . . . . 0.0 110.763 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -100.0 -61.75 1.33 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.834 -0.541 . . . . 0.0 109.694 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.49 104.82 2.94 Favored Glycine 0 N--CA 1.502 3.082 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 1.5 p-10 -103.78 -80.43 0.53 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.242 -1.152 . . . . 0.0 110.957 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.517 ' HG3' ' O ' ' A' ' 5' ' ' ASP . 12.3 mttt -161.68 -60.21 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.97 -1.081 . . . . 0.0 109.715 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HE3' ' OE1' ' A' ' 12' ' ' GLN . 9.0 pttt -174.82 -158.14 0.07 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.199 -0.938 . . . . 0.0 109.787 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.2 t -84.41 133.65 44.27 Favored Pre-proline 0 N--CA 1.497 1.897 0 O-C-N 120.739 -1.225 . . . . 0.0 109.627 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.783 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.7 Cg_endo -76.74 -36.57 1.52 Allowed 'Trans proline' 0 C--N 1.313 -1.311 0 C-N-CA 122.412 2.075 . . . . 0.0 110.619 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.671 HD11 ' HG2' ' A' ' 62' ' ' LYS . 22.0 mt -46.24 -49.95 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.479 -0.763 . . . . 0.0 110.064 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -56.04 -57.96 9.92 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.305 -0.872 . . . . 0.0 109.578 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.443 ' HG3' ' H3 ' ' B' ' 15' ' ' ' U' . 0.4 OUTLIER -59.13 -36.41 75.16 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.19 -0.944 . . . . 0.0 110.697 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 9' ' ' PRO . 25.1 t -60.97 -45.4 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 120.788 -1.195 . . . . 0.0 108.231 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.488 ' HA ' HG21 ' A' ' 24' ' ' VAL . 25.4 m-70 -66.98 -45.54 77.36 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 47.7 mt-10 -55.14 -50.71 68.59 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.623 -0.673 . . . . 0.0 109.485 179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.6 mm -71.19 -40.07 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 121.009 -1.057 . . . . 0.0 109.474 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.62 -42.12 90.31 Favored Glycine 0 N--CA 1.497 2.753 0 N-CA-C 109.351 -1.499 . . . . 0.0 109.351 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -78.43 -48.86 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.629 -0.924 . . . . 0.0 109.418 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 5.5 tmtt? -56.26 -32.15 64.25 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.281 -0.887 . . . . 0.0 110.697 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.531 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -98.31 -78.02 0.5 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.178 -0.951 . . . . 0.0 109.627 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER 161.97 62.04 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.913 ' HB3' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -136.99 126.61 25.31 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.853 -1.154 . . . . 0.0 110.851 -177.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.443 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -74.3 101.83 4.16 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.34 -0.85 . . . . 0.0 108.744 178.645 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.488 HG21 ' HA ' ' A' ' 14' ' ' HIS . 53.3 t -80.85 106.16 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.251 -0.906 . . . . 0.0 110.111 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.794 ' HB2' HG22 ' A' ' 45' ' ' ILE . 7.5 m-70 -130.7 126.57 36.83 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.097 -1.002 . . . . 0.0 109.955 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CE2' HG12 ' A' ' 24' ' ' VAL . 73.1 m-85 -109.95 141.52 42.59 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.198 -0.939 . . . . 0.0 109.276 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -152.81 174.44 14.06 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.116 -0.99 . . . . 0.0 110.486 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.017 HG21 ' HG3' ' A' ' 32' ' ' GLU . 45.2 t -125.08 145.65 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.192 -0.943 . . . . 0.0 108.683 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.24 -24.63 14.78 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.144 -0.973 . . . . 0.0 110.8 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.3 mtt85 -138.02 153.09 49.4 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.966 -1.083 . . . . 0.0 110.717 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 56.27 -150.27 0.44 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.903 -0.498 . . . . 0.0 109.959 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 1.017 ' HG3' HG21 ' A' ' 28' ' ' VAL . 1.1 tm-20 65.52 -160.61 0.27 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.008 -1.058 . . . . 0.0 110.792 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' H ' ' CD ' ' A' ' 32' ' ' GLU . . . 122.3 -148.44 17.03 Favored Glycine 0 N--CA 1.499 2.862 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -77.4 -87.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.317 -1.087 0 C-N-CA 122.666 2.244 . . . . 0.0 110.592 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.82 79.32 0.46 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.083 -1.011 . . . . 0.0 108.995 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.673 ' O ' " H1'" ' B' ' 3' ' ' ' A' . 0.1 OUTLIER -157.14 -167.44 2.33 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.151 -0.968 . . . . 0.0 110.774 -178.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.443 ' SD ' ' HE2' ' A' ' 58' ' ' LYS . 8.1 mtm -131.87 91.38 2.97 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.518 ' HA ' ' CG ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -30.03 98.67 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 CA-C-O 121.709 0.766 . . . . 0.0 111.17 -178.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.586 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 0.5 OUTLIER -166.9 -153.39 0.15 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.529 -0.732 . . . . 0.0 109.633 -178.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 68.44 -85.14 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.477 -0.764 . . . . 0.0 110.955 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.402 HG23 HD12 ' A' ' 41' ' ' ILE . 9.5 mm -125.19 73.86 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.79 -1.194 . . . . 0.0 109.306 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.1 m -87.07 117.02 25.52 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.155 -0.966 . . . . 0.0 109.617 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -108.97 152.0 25.55 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.436 -0.79 . . . . 0.0 109.529 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.567 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 1.8 m -126.95 134.16 50.46 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.157 -0.964 . . . . 0.0 109.413 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.794 HG22 ' HB2' ' A' ' 25' ' ' HIS . 7.9 tt -114.08 142.8 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.087 -1.008 . . . . 0.0 109.113 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.913 HG22 ' HB3' ' A' ' 22' ' ' MET . 4.0 p -137.24 155.2 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.358 -0.839 . . . . 0.0 109.234 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.68 63.86 0.04 OUTLIER Glycine 0 N--CA 1.507 3.37 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER 174.08 -39.24 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.626 -0.926 . . . . 0.0 109.714 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.22 -177.88 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.18 -0.95 . . . . 0.0 110.164 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.687 HG22 HG13 ' A' ' 45' ' ' ILE . 3.4 t -127.02 158.2 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.646 ' CG2' ' HG2' ' A' ' 68' ' ' LYS . 0.8 OUTLIER -140.63 111.54 7.03 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.878 -1.139 . . . . 0.0 111.006 -179.272 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 146.25 27.28 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.359 -0.838 . . . . 0.0 109.077 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.21 95.66 0.18 Allowed Glycine 0 N--CA 1.497 2.748 0 C-N-CA 119.653 -1.261 . . . . 0.0 110.549 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -72.92 63.06 0.63 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.548 -0.972 . . . . 0.0 110.078 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.505 ' HA3' ' N ' ' A' ' 61' ' ' SER . . . -70.07 122.32 11.31 Favored Glycine 0 N--CA 1.496 2.678 0 N-CA-C 109.991 -1.243 . . . . 0.0 109.991 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -117.58 71.98 0.83 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.103 -1.233 . . . . 0.0 109.654 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.32 154.66 7.17 Favored Glycine 0 N--CA 1.5 2.949 0 N-CA-C 110.154 -1.178 . . . . 0.0 110.154 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HE2' ' SD ' ' A' ' 37' ' ' MET . 18.3 mttt -56.19 -15.12 3.32 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.394 -1.062 . . . . 0.0 111.686 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -98.16 -8.41 27.59 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.728 -1.232 . . . . 0.0 110.983 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 61' ' ' SER . 1.3 t -126.12 169.39 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.91 -1.119 . . . . 0.0 108.929 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.586 ' HB3' ' HA ' ' A' ' 39' ' ' ASN . 0.1 OUTLIER 77.57 119.82 0.05 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.161 -0.962 . . . . 0.0 108.742 -179.394 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.671 ' HG2' HD11 ' A' ' 10' ' ' ILE . 2.5 ttpt 83.6 -61.16 0.12 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 34.3 tttp -72.58 -57.58 4.03 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.567 -1.272 . . . . 0.0 107.567 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -43.76 91.8 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.688 -0.632 . . . . 0.0 110.18 179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.567 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -63.31 -56.5 15.93 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.556 -0.715 . . . . 0.0 109.864 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.31 91.42 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.315 -0.865 . . . . 0.0 109.899 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -55.98 -48.12 76.44 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.449 -0.782 . . . . 0.0 109.338 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.646 ' HG2' ' CG2' ' A' ' 51' ' ' THR . 9.8 tttt -58.76 -45.2 90.27 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.473 ' HE3' ' HB ' ' A' ' 46' ' ' VAL . 42.1 tpp -57.1 -38.53 73.53 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.619 ' CD2' HG22 ' A' ' 13' ' ' VAL . 14.1 mt -69.81 -56.89 5.92 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.327 -0.858 . . . . 0.0 110.064 179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.576 HG12 ' HA ' ' A' ' 68' ' ' LYS . 8.9 p -56.9 -30.85 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.173 -0.954 . . . . 0.0 110.526 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.37 -50.17 8.05 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.766 -1.209 . . . . 0.0 108.987 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.651 HD11 HG21 ' A' ' 46' ' ' VAL . 14.2 mt -59.62 -29.14 67.8 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.198 -0.939 . . . . 0.0 110.068 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -9.94 54.27 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.839 -1.163 . . . . 0.0 109.535 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.1 -31.51 12.44 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.365 -0.835 . . . . 0.0 109.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 118.343 -0.836 . . . . 0.0 109.819 -179.308 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.45 " H2'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.436 1.805 0 C5'-C4'-C3' 111.091 -2.939 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.45 " O4'" " H2'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.437 1.883 0 O4'-C1'-N19 111.406 3.206 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.673 " H1'" ' O ' ' A' ' 36' ' ' HIS . . . . . . . . 0 P--O5' 1.614 2.078 0 C5'-C4'-C3' 111.274 -2.817 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 O4'-C1'-N19 111.004 2.804 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.217 0 C5'-C4'-C3' 111.231 -2.846 . 0.014 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.104 0 C5'-C4'-C3' 111.327 -2.782 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.058 0 C5'-C4'-C3' 111.222 -2.852 . 0.049 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.566 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.999 0 O4'-C1'-N19 111.072 2.872 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . 0.438 " H2'" ' C6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.19 0 C5'-C4'-C3' 111.316 -2.79 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.604 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.086 0 C5'-C4'-C3' 111.206 -2.862 . 0.198 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.061 0 C5'-C4'-C3' 111.04 -2.973 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.429 " O2'" " H5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.918 0 C5'-C4'-C3' 111.196 -2.869 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.482 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.994 0 C5'-C4'-C3' 110.918 -3.055 . 0.131 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.831 " O2'" ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C3'-C2'-C1' 104.53 3.366 . 0.12 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.443 ' H3 ' ' HG3' ' A' ' 12' ' ' GLN . . . . . . . . 0 P--O5' 1.613 2.035 0 C5'-C4'-C3' 111.182 -2.879 . 0.209 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.831 ' H5 ' " O2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.61 1.718 0 C5'-C4'-C3' 110.858 -3.095 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.805 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.783 0 O4'-C1'-N19 111.186 2.986 . 0.0 OUTLIER '7D dist 0i' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.805 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.329 0 C5'-C4'-C3' 111.455 -2.696 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.018 0 O4'-C1'-N19 111.096 2.896 . 0.09 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.043 0 C5'-C4'-C3' 111.266 -2.823 . 0.156 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.942 0 C5'-C4'-C3' 111.159 -2.894 . 0.126 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.478 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.004 0 O4'-C1'-N19 111.068 2.868 . 0.043 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.478 ' C8 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.107 0 C5'-C4'-C3' 111.222 -2.852 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 C5'-C4'-C3' 111.361 -2.759 . 0.074 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.44 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.062 0 C5'-C4'-C3' 111.307 -2.795 . 0.125 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.44 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.1 0 C5'-C4'-C3' 111.345 -2.77 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.599 " O2'" " H5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.134 0 O4'-C1'-N19 110.88 2.68 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.599 " H5'" " O2'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.986 0 C5'-C4'-C3' 111.21 -2.86 . 0.097 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.575 " O4'" " H2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.425 -2.337 0 C3'-C2'-C1' 104.314 3.126 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.448 ' C6 ' " O2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.336 0 O4'-C1'-N19 111.141 2.941 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.429 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.71 54.95 0.88 Allowed 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.882 0.848 . . . . 0.0 109.95 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.429 ' OE2' ' N ' ' A' ' 1' ' ' MET . 26.6 mp0 -88.67 35.51 0.78 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.064 -1.023 . . . . 0.0 109.83 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.03 114.61 0.52 Allowed Glycine 0 N--CA 1.497 2.715 0 O-C-N 120.692 -1.255 . . . . 0.0 110.693 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.416 ' O ' ' HD3' ' A' ' 6' ' ' LYS . 34.1 t70 -152.58 -82.66 0.09 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.848 -0.795 . . . . 0.0 109.37 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -140.46 130.13 24.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.039 -1.038 . . . . 0.0 109.154 179.639 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -74.09 54.74 0.55 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.988 -1.07 . . . . 0.0 110.285 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.465 ' OG ' ' CE ' ' A' ' 63' ' ' LYS . 3.4 m 172.45 83.86 0.04 OUTLIER Pre-proline 0 N--CA 1.504 2.267 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HB2' HD11 ' A' ' 70' ' ' LEU . 33.8 Cg_endo -73.97 52.07 2.54 Favored 'Trans proline' 0 C--N 1.31 -1.467 0 C-N-CA 122.413 2.075 . . . . 0.0 112.177 -178.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.581 ' O ' HG12 ' A' ' 13' ' ' VAL . 49.7 mm -69.8 -52.52 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.158 0 O-C-N 121.011 -1.055 . . . . 0.0 108.693 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -52.57 64.47 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.05 -1.031 . . . . 0.0 108.726 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -52.51 -43.63 65.21 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.628 -0.67 . . . . 0.0 111.04 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.9 HG23 ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -63.25 -40.32 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.636 -1.29 . . . . 0.0 108.735 179.301 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.816 ' HA ' HG11 ' A' ' 24' ' ' VAL . 16.7 m-70 -67.26 -36.31 81.34 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 33.2 mt-10 -66.29 -60.23 2.97 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.777 -0.577 . . . . 0.0 110.206 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -55.38 -33.34 31.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.146 -0.972 . . . . 0.0 110.977 -178.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -69.14 -49.11 42.38 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.7 mp -77.94 -37.07 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.61 -0.935 . . . . 0.0 110.626 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -60.84 -19.47 59.92 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.896 -1.128 . . . . 0.0 110.957 -179.768 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -117.69 -76.98 0.57 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.096 -1.002 . . . . 0.0 109.799 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 30.7 t-20 171.81 62.13 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.579 -0.7 . . . . 0.0 109.67 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.415 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -140.06 117.59 11.49 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.745 -1.222 . . . . 0.0 110.492 -179.559 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 p -66.78 100.7 0.73 Allowed 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.395 -0.816 . . . . 0.0 109.451 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.816 HG11 ' HA ' ' A' ' 14' ' ' HIS . 9.4 p -96.36 110.76 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.393 -0.817 . . . . 0.0 110.114 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.799 ' HB2' HG22 ' A' ' 45' ' ' ILE . 9.9 m-70 -132.21 124.82 29.74 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.729 -1.232 . . . . 0.0 109.912 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' CE2' HG22 ' A' ' 24' ' ' VAL . 91.1 m-85 -111.32 123.99 51.33 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.27 -0.894 . . . . 0.0 109.521 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 28' ' ' VAL . 6.8 tttp -146.69 132.3 18.81 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.87 -1.144 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.517 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 77.4 t -76.06 149.72 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.085 -1.01 . . . . 0.0 109.428 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.891 HD21 ' HB2' ' A' ' 43' ' ' ALA . 7.4 mt -98.5 -63.93 1.08 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.339 -0.851 . . . . 0.0 109.569 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.97 146.27 10.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.576 -0.702 . . . . 0.0 110.251 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.786 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 1.3 pm0 -83.95 160.32 21.09 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.6 -0.688 . . . . 0.0 111.035 -179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.9 65.11 6.89 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.346 -0.846 . . . . 0.0 110.235 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 146.67 -153.74 25.53 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -78.62 -19.16 11.57 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.416 2.077 . . . . 0.0 111.622 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' HIS . . . -163.79 179.22 7.25 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.107 -0.996 . . . . 0.0 110.093 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.752 ' HA ' ' CE1' ' A' ' 40' ' ' PHE . 84.9 m-70 -31.21 -71.84 0.05 OUTLIER 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.993 -0.442 . . . . 0.0 111.632 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.456 ' O ' ' CG ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER 68.26 -67.29 0.2 Allowed 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.024 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 37' ' ' MET . 13.7 mttm -163.11 -65.52 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.839 -0.538 . . . . 0.0 111.874 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -81.55 133.92 35.44 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.191 -0.943 . . . . 0.0 112.526 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.786 ' CE1' ' HB3' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -134.36 114.97 13.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.698 -0.627 . . . . 0.0 110.346 178.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.35 101.45 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.343 -0.848 . . . . 0.0 109.712 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.517 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 52.4 m -95.9 117.49 30.71 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.131 -0.981 . . . . 0.0 109.22 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.891 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -79.78 143.06 34.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.429 -0.794 . . . . 0.0 109.817 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 1.047 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 7.4 m -131.67 119.37 21.29 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.367 -0.833 . . . . 0.0 109.755 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.799 HG22 ' HB2' ' A' ' 25' ' ' HIS . 3.3 tt -110.15 133.95 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.984 -1.072 . . . . 0.0 110.159 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.824 HG11 HD21 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -114.36 -168.8 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.71 93.67 0.12 Allowed Glycine 0 N--CA 1.501 3.018 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 m 69.24 27.22 5.21 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.627 -0.925 . . . . 0.0 110.353 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.1 mt -141.86 150.84 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.091 -1.006 . . . . 0.0 109.524 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.402 HG22 HG13 ' A' ' 45' ' ' ILE . 2.4 t -130.06 151.44 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.037 0 O-C-N 120.824 -1.173 . . . . 0.0 108.587 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.663 HG23 ' HE3' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -165.3 116.98 1.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.235 -0.916 . . . . 0.0 109.931 -179.328 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' HG3' ' HA ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -85.3 160.85 19.74 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.094 -1.004 . . . . 0.0 110.129 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.53 108.31 0.74 Allowed Glycine 0 N--CA 1.499 2.841 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.67 78.83 3.32 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.629 -0.924 . . . . 0.0 109.927 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.751 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -97.68 174.07 28.92 Favored Glycine 0 N--CA 1.499 2.868 0 O-C-N 120.638 -1.289 . . . . 0.0 111.283 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.477 ' H ' ' HB ' ' A' ' 60' ' ' VAL . 0.1 OUTLIER -82.5 34.38 0.43 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.51 -0.994 . . . . 0.0 111.296 -179.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.654 ' HA2' ' HB2' ' A' ' 40' ' ' PHE . . . 80.11 -146.39 27.87 Favored Glycine 0 N--CA 1.5 2.911 0 O-C-N 120.691 -1.256 . . . . 0.0 112.156 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -63.32 76.06 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 122.013 -0.698 . . . . 0.0 111.531 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' HE2' ' HB3' ' A' ' 59' ' ' LYS . 10.0 ptpt 168.15 -43.09 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.683 -0.636 . . . . 0.0 109.551 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.524 HG12 ' CA ' ' A' ' 55' ' ' GLY . 2.7 t -122.15 -33.98 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.437 -0.789 . . . . 0.0 110.836 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.751 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 75.3 m -53.98 -44.22 70.62 Favored 'General case' 0 N--CA 1.507 2.385 0 O-C-N 120.668 -1.27 . . . . 0.0 110.625 -179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.439 ' HE2' HG13 ' A' ' 10' ' ' ILE . 24.6 tttt -73.39 -9.14 58.38 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.055 -1.028 . . . . 0.0 110.302 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' CE ' ' OG ' ' A' ' 8' ' ' SER . 15.0 mttp -101.57 -68.18 0.83 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.165 -0.959 . . . . 0.0 109.053 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -44.92 -38.32 4.58 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.555 -0.715 . . . . 0.0 110.251 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 1.047 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -66.2 -45.3 81.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.115 -0.991 . . . . 0.0 109.024 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.89 -44.92 75.86 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.359 -0.838 . . . . 0.0 109.37 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.63 -52.62 22.19 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.576 -0.703 . . . . 0.0 109.183 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.663 ' HE3' HG23 ' A' ' 51' ' ' THR . 0.8 OUTLIER -55.18 -53.84 50.94 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.707 -0.621 . . . . 0.0 109.721 179.139 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.75 ' SD ' HG23 ' A' ' 24' ' ' VAL . 3.2 ttm -58.0 -37.44 74.28 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.138 -0.976 . . . . 0.0 110.201 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.9 ' CD2' HG23 ' A' ' 13' ' ' VAL . 13.1 mt -67.1 -49.59 64.45 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.923 -1.111 . . . . 0.0 109.394 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 68' ' ' LYS . 9.8 p -65.17 -35.9 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.045 -1.035 . . . . 0.0 108.994 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.47 ' OE2' ' HD2' ' A' ' 68' ' ' LYS . 2.5 mt-10 -64.74 -47.23 79.01 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.824 HD21 HG11 ' A' ' 46' ' ' VAL . 95.0 mt -74.06 -27.22 60.81 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 121.244 -0.91 . . . . 0.0 111.206 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -80.35 -10.53 59.75 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.872 -1.142 . . . . 0.0 111.318 -178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.562 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -117.11 -13.65 10.55 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.113 -0.992 . . . . 0.0 110.877 -179.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 73' ' ' LEU . 13.2 mt . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.38 -1.295 . . . . 0.0 110.685 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.96 0 O4'-C1'-N19 110.942 2.742 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.201 0 O4'-C1'-N19 111.148 2.948 . 0.192 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.433 ' C6 ' ' C5 ' ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.617 2.435 0 O4'-C1'-N19 111.129 2.929 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.564 " H4'" ' CD2' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C1' 1.437 1.952 0 O4'-C1'-N19 111.121 2.921 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.874 0 C5'-C4'-C3' 111.31 -2.794 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.022 0 C5'-C4'-C3' 110.99 -3.007 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.063 0 O4'-C1'-N19 111.084 2.884 . 0.094 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.097 0 C5'-C4'-C3' 111.08 -2.946 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . 0.443 " H2'" ' C6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.002 0 O4'-C1'-N19 111.226 3.026 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.54 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.009 0 C5'-C4'-C3' 111.188 -2.875 . 0.354 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.552 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.119 0 O4'-C1'-N19 111.045 2.845 . 0.226 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.646 " H2'" ' O2 ' ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.939 0 O4'-C1'-N19 111.058 2.858 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.594 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.35 0 O4'-C1'-N19 112.112 3.912 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.594 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.307 0 C3'-C2'-C1' 104.805 3.672 . 0.271 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.964 0 C5'-C4'-C3' 111.282 -2.812 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.459 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.923 0 C5'-C4'-C3' 110.984 -3.011 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.679 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.973 0 C5'-C4'-C3' 110.874 -3.084 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.679 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.047 0 C5'-C4'-C3' 111.32 -2.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.056 0 O4'-C1'-N19 111.209 3.009 . 0.338 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.524 ' H21' " H1'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 C2'--O2' 1.435 1.67 0 C5'-C4'-C3' 110.969 -3.021 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.524 " H1'" ' H21' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.81 0 C5'-C4'-C3' 111.152 -2.898 . 0.014 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.545 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.018 0 C5'-C4'-C3' 111.205 -2.863 . 0.274 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.545 ' C8 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.05 0 O4'-C1'-N19 110.963 2.763 . 0.02 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.604 0 C5'-C4'-C3' 111.385 -2.744 . 0.471 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.135 0 C5'-C4'-C3' 111.088 -2.941 . 0.123 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.513 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.881 0 C5'-C4'-C3' 111.137 -2.909 . 0.262 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.402 " H2'" ' C6 ' ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.212 0 O4'-C1'-N19 111.314 3.114 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.499 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.087 0 O4'-C1'-N19 111.06 2.86 . 0.281 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.08 0 C5'-C4'-C3' 111.268 -2.822 . 0.181 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.427 0 O4'-C1'-N19 111.166 2.966 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.07 -77.91 0.18 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -176.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.593 ' HG2' ' HE2' ' A' ' 6' ' ' LYS . 24.3 tt0 -58.96 -66.39 0.51 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.056 -1.028 . . . . 0.0 109.037 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.02 -178.49 37.53 Favored Glycine 0 N--CA 1.499 2.843 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -65.62 131.04 45.37 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.788 -1.419 . . . . 0.0 110.041 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.593 ' HE2' ' HG2' ' A' ' 3' ' ' GLU . 6.9 mmtt -124.97 -4.35 7.53 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.393 -0.817 . . . . 0.0 110.362 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.618 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 22.7 mtmt -152.03 158.11 42.6 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.265 -0.897 . . . . 0.0 109.362 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.56 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 27.9 p -105.36 95.24 9.44 Favored Pre-proline 0 N--CA 1.5 2.048 0 O-C-N 121.284 -0.885 . . . . 0.0 108.928 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.618 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 36.8 Cg_endo -77.59 146.9 24.57 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.487 2.125 . . . . 0.0 111.51 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.668 HG22 ' CD2' ' A' ' 14' ' ' HIS . 45.2 mm -78.51 -49.39 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.256 -0.903 . . . . 0.0 109.887 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -47.93 -49.96 28.48 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.127 -0.983 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.582 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -58.67 -44.24 90.13 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.13 -0.982 . . . . 0.0 109.443 179.422 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.812 HG22 HD21 ' A' ' 70' ' ' LEU . 65.4 t -59.3 -44.16 91.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.668 ' CD2' HG22 ' A' ' 10' ' ' ILE . 21.7 m-70 -61.67 -38.37 87.5 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 177.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.457 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -58.33 -61.74 2.36 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.816 -0.553 . . . . 0.0 109.729 178.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.2 pp -58.97 -36.89 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 120.794 -1.191 . . . . 0.0 110.192 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.69 -48.67 79.65 Favored Glycine 0 N--CA 1.5 2.927 0 N-CA-C 109.179 -1.568 . . . . 0.0 109.179 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.9 mm -73.73 -36.88 47.76 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.599 -0.942 . . . . 0.0 109.484 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 10.4 mmtp -61.57 -34.91 76.41 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.433 -0.792 . . . . 0.0 110.677 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.647 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -93.66 -72.86 0.59 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.228 -0.92 . . . . 0.0 109.298 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.647 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 37.0 t-20 164.69 64.93 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.17 141.19 46.98 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.856 -1.152 . . . . 0.0 110.413 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -41.59 97.53 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.677 -0.64 . . . . 0.0 110.439 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 t 64.82 72.86 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 CA-C-O 121.834 0.826 . . . . 0.0 109.433 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.566 ' HB2' HG22 ' A' ' 45' ' ' ILE . 5.0 m-70 -120.23 117.94 29.17 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.859 -1.151 . . . . 0.0 109.724 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 22.1 m-85 -92.49 149.04 21.62 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.388 -0.82 . . . . 0.0 109.704 179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -158.61 118.94 3.25 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.945 -1.097 . . . . 0.0 110.537 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.656 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 78.4 t -76.62 130.73 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.138 -0.976 . . . . 0.0 109.014 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.584 HD21 ' CB ' ' A' ' 43' ' ' ALA . 7.3 mt -72.33 -48.37 42.58 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.349 -0.844 . . . . 0.0 108.885 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' ' 29' ' ' LEU . 2.1 ptm180 170.11 118.34 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 121.216 0.531 . . . . 0.0 109.603 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 2.6 pt-20 -79.94 -148.23 0.05 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.163 -0.96 . . . . 0.0 108.67 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HB3' ' O ' ' A' ' 37' ' ' MET . 10.5 pt-20 -85.62 140.17 30.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.01 -1.681 . . . . 0.0 110.452 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.86 -64.07 1.32 Allowed Glycine 0 N--CA 1.495 2.622 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -82.91 141.24 10.56 Favored 'Trans proline' 0 C--N 1.315 -1.222 0 C-N-CA 121.891 1.727 . . . . 0.0 108.849 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.71 82.79 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.954 -1.091 . . . . 0.0 109.968 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -164.08 -33.23 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.116 -0.99 . . . . 0.0 111.729 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.569 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 5.8 tpt -109.48 75.58 0.95 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.564 -1.335 . . . . 0.0 110.324 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 77.22 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.508 -0.745 . . . . 0.0 111.282 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 37' ' ' MET . 1.0 OUTLIER -131.84 147.56 52.49 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.901 -1.124 . . . . 0.0 109.12 178.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.49 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 64.3 m-85 -133.87 101.07 4.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.704 -1.247 . . . . 0.0 109.975 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.556 HG21 HD12 ' A' ' 29' ' ' LEU . 26.4 mm -89.59 101.8 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.537 -0.727 . . . . 0.0 109.567 -179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.656 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 78.7 m -110.49 117.25 33.06 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.342 -0.848 . . . . 0.0 109.35 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.584 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -99.71 169.1 9.49 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.127 -0.983 . . . . 0.0 110.586 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 36.1 t -151.63 150.4 30.24 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.454 -0.779 . . . . 0.0 109.635 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.611 HD13 ' N ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -127.44 139.46 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.132 -0.98 . . . . 0.0 109.761 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.611 ' N ' HD13 ' A' ' 45' ' ' ILE . 7.2 m -138.21 106.09 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.328 -0.857 . . . . 0.0 110.1 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.15 -98.62 0.91 Allowed Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.5 p -125.63 12.03 7.96 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.566 -0.961 . . . . 0.0 110.739 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.591 HG23 HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -122.83 138.95 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.691 -1.256 . . . . 0.0 109.699 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.1 t -118.06 151.61 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.506 -0.746 . . . . 0.0 109.347 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.462 ' OG1' ' HG2' ' A' ' 69' ' ' MET . 40.4 p -140.65 145.72 36.96 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.124 -0.985 . . . . 0.0 110.461 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' CD ' ' H ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -103.12 146.05 28.98 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.343 -0.848 . . . . 0.0 109.849 179.428 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -113.23 115.81 3.77 Favored Glycine 0 N--CA 1.498 2.806 0 N-CA-C 109.916 -1.273 . . . . 0.0 109.916 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.9 OUTLIER -96.24 74.59 2.94 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 122.248 1.023 . . . . 0.0 110.416 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.499 ' HA2' HG12 ' A' ' 60' ' ' VAL . . . -98.44 123.09 7.75 Favored Glycine 0 N--CA 1.498 2.77 0 O-C-N 120.37 -1.456 . . . . 0.0 110.366 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -80.74 63.71 5.25 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 120.961 -1.317 . . . . 0.0 109.365 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.35 154.14 6.2 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.49 ' HE2' ' CZ ' ' A' ' 40' ' ' PHE . 25.3 mmtt -52.2 -54.4 31.44 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.311 -1.111 . . . . 0.0 110.462 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -39.86 84.5 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.96 -1.088 . . . . 0.0 110.963 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.499 HG12 ' HA2' ' A' ' 55' ' ' GLY . 14.3 t -73.18 -32.85 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 O-C-N 121.01 -1.056 . . . . 0.0 110.836 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 62' ' ' LYS . 91.1 p -54.71 -76.94 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.267 -0.895 . . . . 0.0 111.352 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.427 ' N ' ' OG ' ' A' ' 61' ' ' SER . 42.0 mttt -50.53 -32.12 17.52 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.258 -0.901 . . . . 0.0 110.239 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.612 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -69.05 -66.68 0.55 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.055 -1.028 . . . . 0.0 109.018 178.835 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -49.49 -38.84 31.64 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.438 -0.789 . . . . 0.0 110.087 179.652 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -64.53 -49.67 70.35 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.453 -0.779 . . . . 0.0 109.571 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.09 -45.48 81.1 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.216 -0.927 . . . . 0.0 110.724 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 2.9 mt-10 -52.15 -54.61 28.57 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.173 -0.955 . . . . 0.0 109.481 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -46.11 66.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.72 -0.613 . . . . 0.0 109.42 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.609 ' HE1' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -61.98 -54.82 36.31 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.407 -0.808 . . . . 0.0 109.418 179.39 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.812 HD21 HG22 ' A' ' 13' ' ' VAL . 51.4 mt -57.6 -47.08 83.11 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.045 -1.034 . . . . 0.0 110.717 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 67' ' ' GLU . 56.0 t -51.37 -42.24 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.344 -0.848 . . . . 0.0 110.455 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.466 ' OE2' ' NZ ' ' A' ' 75' ' ' LYS . 14.0 mm-40 -86.5 -49.63 7.44 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.023 -1.048 . . . . 0.0 109.708 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 69' ' ' MET . 9.6 mp -55.76 -29.14 59.11 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.21 -0.931 . . . . 0.0 110.793 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 14.7 mt-30 -86.72 -15.7 38.69 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.173 -0.955 . . . . 0.0 109.778 179.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.466 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 15.3 ttpt -98.09 -24.4 15.33 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.311 -0.868 . . . . 0.0 109.862 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.488 1.448 0 O-C-N 121.529 -0.732 . . . . 0.0 110.65 -179.128 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.532 ' N7 ' " H1'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.242 0 O4'-C1'-N19 110.918 2.718 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.532 " H1'" ' N7 ' ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.139 0 C5'-C4'-C3' 111.076 -2.95 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.466 ' H8 ' " O5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.12 0 C5'-C4'-C3' 111.182 -2.879 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.249 0 O4'-C1'-N19 111.175 2.975 . 0.252 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.935 0 O4'-C1'-N19 111.02 2.82 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.13 0 C5'-C4'-C3' 111.447 -2.702 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.033 0 O4'-C1'-N19 111.117 2.917 . 0.049 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.56 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.914 0 C5'-C4'-C3' 111.308 -2.795 . 0.276 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . 0.458 " H2'" ' C6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.944 0 C5'-C4'-C3' 111.333 -2.778 . 0.081 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.624 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.123 0 C5'-C4'-C3' 111.227 -2.848 . 0.325 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.937 0 C5'-C4'-C3' 111.303 -2.798 . 0.013 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.455 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.994 0 O4'-C1'-N19 111.227 3.027 . 0.025 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.612 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.136 0 O4'-C1'-N19 110.941 2.741 . 0.025 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 C3'-C2'-C1' 104.488 3.32 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.849 0 C5'-C4'-C3' 111.124 -2.917 . 0.051 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.452 " H5'" ' C5 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.145 0 C5'-C4'-C3' 111.333 -2.778 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.5 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.17 0 C5'-C4'-C3' 111.336 -2.776 . 0.01 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.67 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.248 0 O4'-C1'-N19 110.981 2.781 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.67 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.271 0 C5'-C4'-C3' 111.122 -2.919 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.42 " H2'" ' N3 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.346 0 C5'-C4'-C3' 111.283 -2.811 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.979 0 C5'-C4'-C3' 111.272 -2.819 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.03 0 O4'-C1'-N19 111.27 3.07 . 0.212 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.088 0 C5'-C4'-C3' 111.295 -2.804 . 0.105 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . 0.407 " H2'" ' C6 ' ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.197 0 O4'-C1'-N19 110.9 2.7 . 0.04 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.407 ' C6 ' " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.215 0 O4'-C1'-N19 111.045 2.845 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.971 0 O4'-C1'-N19 111.037 2.837 . 0.274 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.416 " H2'" ' C6 ' ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.099 0 O4'-C1'-N19 111.092 2.892 . 0.053 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.551 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.103 0 O4'-C1'-N19 111.196 2.996 . 0.318 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.551 ' C6 ' " H2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.019 0 C5'-C4'-C3' 110.821 -3.119 . 0.197 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.472 ' H6 ' " O5'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.059 0 O4'-C1'-N19 111.173 2.973 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.478 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 1.7 mmt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.447 ' OD2' ' NZ ' ' A' ' 6' ' ' LYS . 2.3 m-20 58.87 57.66 3.53 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-O 121.706 0.765 . . . . 0.0 109.455 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' OE2' ' N ' ' A' ' 1' ' ' MET . 4.6 mp0 -68.84 61.49 0.1 Allowed 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.378 -0.826 . . . . 0.0 111.446 -178.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.63 155.99 7.83 Favored Glycine 0 N--CA 1.5 2.936 0 O-C-N 120.742 -1.224 . . . . 0.0 110.182 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.48 154.66 41.41 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.216 -1.167 . . . . 0.0 109.131 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.447 ' NZ ' ' OD2' ' A' ' 2' ' ' ASP . 12.0 mptt -74.57 65.22 1.27 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.782 -1.198 . . . . 0.0 108.512 179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 14.9 tptt -46.91 103.65 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.703 -0.623 . . . . 0.0 111.236 -178.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.501 ' OG ' ' NZ ' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -158.93 78.38 3.04 Favored Pre-proline 0 N--CA 1.497 1.877 0 O-C-N 121.615 -0.678 . . . . 0.0 109.322 179.745 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.673 ' HG3' ' HG3' ' A' ' 67' ' ' GLU . 34.4 Cg_endo -74.17 66.53 5.23 Favored 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 122.322 2.014 . . . . 0.0 110.874 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.638 HD11 ' O ' ' A' ' 62' ' ' LYS . 88.3 mt -124.0 -60.21 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.387 -0.821 . . . . 0.0 109.218 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.404 ' HB2' ' OE2' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -52.19 -67.2 0.27 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.545 -0.722 . . . . 0.0 109.947 179.623 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.96 -39.61 12.74 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.262 -0.899 . . . . 0.0 110.454 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.042 HG22 HD21 ' A' ' 70' ' ' LEU . 69.2 t -64.08 -46.3 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.048 -1.032 . . . . 0.0 108.717 178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' HB3' ' C8 ' ' B' ' 17' ' ' ' G' . 9.7 m-70 -64.1 -37.8 88.74 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 4.6 mt-10 -63.76 -55.49 22.76 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.705 -0.622 . . . . 0.0 109.613 179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.1 pt -65.76 -33.18 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.858 -1.151 . . . . 0.0 109.437 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.53 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -64.84 -54.22 29.57 Favored Glycine 0 N--CA 1.494 2.518 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 178.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.485 HG13 ' C8 ' ' B' ' 17' ' ' ' G' . 22.5 mm -62.32 -47.69 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.349 -1.089 . . . . 0.0 109.412 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.501 ' HG3' " H1'" ' B' ' 15' ' ' ' U' . 2.5 mmtp -58.66 -36.22 73.81 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.329 -0.857 . . . . 0.0 110.536 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -96.39 18.75 13.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.995 -1.066 . . . . 0.0 110.721 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 55.69 34.83 24.09 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.069 -1.019 . . . . 0.0 110.089 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.53 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 29.2 mtp -105.55 111.6 24.36 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.053 -1.029 . . . . 0.0 109.609 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -63.04 95.57 0.08 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.354 -0.841 . . . . 0.0 110.392 -179.749 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.1 t -85.08 108.33 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.287 -0.883 . . . . 0.0 109.177 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.486 ' HB2' HG22 ' A' ' 45' ' ' ILE . 7.9 m-70 -130.06 124.71 33.49 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.999 -1.063 . . . . 0.0 110.33 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 39.4 m-85 -112.65 125.0 53.81 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.346 -0.846 . . . . 0.0 109.193 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.92 114.21 6.27 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.045 -1.034 . . . . 0.0 110.563 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.743 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 6.6 p -79.21 155.21 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.926 -1.109 . . . . 0.0 109.507 179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' H ' ' HG ' ' A' ' 29' ' ' LEU . 3.1 mt -71.34 -33.01 69.23 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.559 ' HD2' ' SD ' ' A' ' 37' ' ' MET . 2.2 ttp180 71.79 63.15 0.14 Allowed 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.18 0.991 . . . . 0.0 108.844 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' OE2' ' HB3' ' A' ' 40' ' ' PHE . 2.4 mp0 -67.3 -75.82 0.09 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.731 -0.606 . . . . 0.0 110.425 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.631 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -67.48 160.7 27.02 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.369 -0.832 . . . . 0.0 110.325 -179.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' HA2' ' HG3' ' A' ' 37' ' ' MET . . . -171.47 63.6 0.15 Allowed Glycine 0 N--CA 1.5 2.947 0 O-C-N 121.029 -1.044 . . . . 0.0 111.622 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 33' ' ' GLY . 36.2 Cg_endo -78.56 -48.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.316 -1.154 0 C-N-CA 122.402 2.068 . . . . 0.0 110.401 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.12 -66.73 0.51 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -102.87 164.93 11.33 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.157 -0.964 . . . . 0.0 108.642 177.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.559 ' SD ' ' HD2' ' A' ' 30' ' ' ARG . 5.1 mtm -143.27 83.71 1.79 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.794 -1.191 . . . . 0.0 110.549 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.51 ' CE ' H5'' ' B' ' 4' ' ' ' C' . 15.9 mtmt -140.37 57.07 1.59 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.892 -1.13 . . . . 0.0 111.359 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.489 ' O ' HG21 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -167.49 -172.02 1.83 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.592 -1.317 . . . . 0.0 111.124 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.631 ' CZ ' ' HB2' ' A' ' 32' ' ' GLU . 6.8 m-85 89.58 -161.57 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.446 0 CA-C-O 121.516 0.674 . . . . 0.0 111.962 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 3.2 mt -65.45 91.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.352 -0.842 . . . . 0.0 111.004 -178.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.763 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 1.1 m -77.54 120.03 21.94 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.987 -1.07 . . . . 0.0 108.344 178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.45 120.79 34.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 109.223 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.603 ' SG ' ' HG3' ' A' ' 69' ' ' MET . 25.5 p -129.94 153.64 48.15 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.882 -1.136 . . . . 0.0 110.831 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.486 HG22 ' HB2' ' A' ' 25' ' ' HIS . 19.9 tt -134.79 150.87 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.475 -0.766 . . . . 0.0 109.401 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 23' ' ' THR . 72.5 t -137.59 93.54 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.186 -0.946 . . . . 0.0 109.061 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.21 -93.24 0.51 Allowed Glycine 0 N--CA 1.499 2.842 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.82 8.36 10.53 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.361 -1.082 . . . . 0.0 110.797 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.8 mt -112.92 137.25 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.025 0 O-C-N 120.894 -1.129 . . . . 0.0 109.758 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.81 147.05 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.11 -0.994 . . . . 0.0 109.625 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.4 HG21 ' HG3' ' A' ' 68' ' ' LYS . 16.8 m -153.5 127.43 8.93 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.307 -0.871 . . . . 0.0 109.396 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' HA ' ' O ' ' A' ' 42' ' ' THR . 9.3 pt-20 -126.34 170.1 12.26 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.005 -1.06 . . . . 0.0 109.857 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 54' ' ' GLU . . . 126.59 -79.18 0.37 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.763 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 0.9 OUTLIER 65.08 -85.05 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.706 -0.879 . . . . 0.0 110.141 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 164.73 -175.8 40.65 Favored Glycine 0 N--CA 1.501 3.012 0 C-N-CA 119.949 -1.12 . . . . 0.0 110.787 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.49 82.62 1.74 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.107 -1.231 . . . . 0.0 109.974 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.9 179.11 47.87 Favored Glycine 0 N--CA 1.498 2.797 0 N-CA-C 110.191 -1.164 . . . . 0.0 110.191 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.632 ' HE2' " O2'" ' B' ' 2' ' ' ' G' . 0.0 OUTLIER -81.9 11.8 4.67 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.147 -1.208 . . . . 0.0 111.077 -179.76 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt -115.52 17.71 16.24 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.607 -1.308 . . . . 0.0 109.993 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.595 ' O ' ' CB ' ' A' ' 61' ' ' SER . 11.3 m -150.06 -170.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.266 -0.896 . . . . 0.0 109.695 -179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 7.3 t 100.73 120.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 CA-C-O 121.832 0.825 . . . . 0.0 110.462 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.638 ' O ' HD11 ' A' ' 10' ' ' ILE . 7.1 tttm 53.54 45.17 28.74 Favored 'General case' 0 N--CA 1.502 2.167 0 CA-C-O 122.38 1.086 . . . . 0.0 108.19 -178.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.668 ' HG3' ' HD2' ' A' ' 9' ' ' PRO . 4.5 ttmt -175.79 -47.69 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.591 ' CB ' ' HG3' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -60.58 -57.42 12.79 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.035 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . . . -60.38 -40.76 92.03 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.452 -0.78 . . . . 0.0 109.092 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.31 -51.84 68.23 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.364 -0.835 . . . . 0.0 109.595 179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.673 ' HG3' ' HG3' ' A' ' 9' ' ' PRO . 1.6 mt-10 -56.17 -42.04 76.41 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.434 -0.791 . . . . 0.0 109.107 179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.55 ' O ' HG12 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.19 -42.09 93.94 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.576 -0.702 . . . . 0.0 109.241 179.285 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.603 ' HG3' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -65.54 -50.81 63.85 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.174 -0.954 . . . . 0.0 109.693 179.643 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.042 HD21 HG22 ' A' ' 13' ' ' VAL . 12.6 mt -51.39 -47.88 62.76 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.342 -0.848 . . . . 0.0 110.298 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 68' ' ' LYS . 8.1 p -69.48 -18.37 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.329 0 O-C-N 120.994 -1.066 . . . . 0.0 110.621 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -91.2 -56.16 3.26 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.677 -1.264 . . . . 0.0 110.133 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 pp -65.22 -26.67 68.23 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.083 -1.011 . . . . 0.0 111.075 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.41 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 29.7 mt-30 -77.73 8.98 3.8 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.717 -1.24 . . . . 0.0 109.839 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.49 -9.5 15.93 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.276 -0.89 . . . . 0.0 110.251 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 117.858 -1.067 . . . . 0.0 110.222 -179.524 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.434 1.651 0 O4'-C1'-N19 111.429 3.229 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.632 " O2'" ' HE2' ' A' ' 58' ' ' LYS . . . . . . . . 0 P--O5' 1.616 2.29 0 C5'-C4'-C3' 111.012 -2.992 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.564 " O2'" " H5'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.092 0 O4'-C1'-N19 111.159 2.959 . 0.225 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.564 " H5'" " O2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.162 0 C5'-C4'-C3' 110.96 -3.026 . 0.163 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.092 0 O4'-C1'-N19 111.079 2.879 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.926 0 O4'-C1'-N19 110.927 2.727 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.924 0 O4'-C1'-N19 111.105 2.905 . 0.305 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.062 0 C5'-C4'-C3' 111.2 -2.867 . 0.333 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.121 0 O4'-C1'-N19 111.169 2.969 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.967 0 C5'-C4'-C3' 111.275 -2.817 . 0.13 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.677 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.097 0 O4'-C1'-N19 111.12 2.92 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.677 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.996 0 O4'-C1'-N19 111.135 2.935 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.655 " H2'" " O4'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.145 0 O4'-C1'-N19 111.894 3.694 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.687 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.526 0 C3'-C2'-C1' 104.663 3.515 . 0.192 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.501 " H1'" ' HG3' ' A' ' 19' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.881 0 O4'-C1'-N19 111.45 3.25 . 0.075 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.687 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.079 0 C5'-C4'-C3' 111.164 -2.89 . 0.674 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.776 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.124 0 C5'-C4'-C3' 111.203 -2.864 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.776 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.172 0 O4'-C1'-N19 111.091 2.891 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.082 0 C5'-C4'-C3' 111.084 -2.944 . 0.014 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.905 0 C5'-C4'-C3' 111.382 -2.745 . 0.285 1f . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.914 0 C5'-C4'-C3' 111.288 -2.808 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.984 0 O4'-C1'-N19 111.064 2.864 . 0.245 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.195 0 C5'-C4'-C3' 111.292 -2.805 . 0.087 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.055 0 O4'-C1'-N19 111.094 2.894 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.01 0 C5'-C4'-C3' 111.207 -2.862 . 0.272 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.21 0 C5'-C4'-C3' 111.159 -2.894 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.083 0 C5'-C4'-C3' 111.335 -2.777 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.468 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.21 0 O4'-C1'-N19 111.056 2.856 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.607 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.122 0 C5'-C4'-C3' 110.983 -3.011 . 0.211 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.487 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.538 0 C5'-C4'-C3' 111.377 -2.749 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 51.06 48.66 22.66 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.263 1.03 . . . . 0.0 109.108 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.562 ' HG2' ' HE3' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -77.4 150.96 35.01 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.427 -0.796 . . . . 0.0 110.975 -178.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.73 -150.33 5.06 Favored Glycine 0 N--CA 1.5 2.934 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.414 ' OD2' ' NZ ' ' A' ' 63' ' ' LYS . 3.5 p-10 -74.47 93.91 2.52 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.723 -1.457 . . . . 0.0 109.495 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.562 ' HE3' ' HG2' ' A' ' 3' ' ' GLU . 15.2 mttt -73.28 60.24 0.59 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.868 -1.145 . . . . 0.0 110.139 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -175.28 111.47 0.12 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.195 -0.94 . . . . 0.0 109.609 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.21 115.16 10.39 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.2 -0.938 . . . . 0.0 109.744 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.619 ' O ' HG23 ' A' ' 13' ' ' VAL . 30.7 Cg_endo -71.32 -60.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 122.287 1.991 . . . . 0.0 111.148 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.407 HD11 ' CG ' ' A' ' 62' ' ' LYS . 18.5 mt -55.93 -51.92 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.081 -1.012 . . . . 0.0 109.391 179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -54.76 -50.15 69.13 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.192 -0.943 . . . . 0.0 109.706 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -53.78 -46.62 71.08 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.18 -0.95 . . . . 0.0 110.303 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.733 ' HA ' HD21 ' A' ' 70' ' ' LEU . 14.2 t -60.2 -44.47 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.013 -1.054 . . . . 0.0 109.194 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.515 ' HA ' HG21 ' A' ' 24' ' ' VAL . 22.1 m-70 -64.77 -40.96 96.14 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.222 -0.924 . . . . 0.0 108.74 178.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.658 ' OE1' " H5'" ' B' ' 16' ' ' ' C' . 5.0 mm-40 -62.98 -51.88 65.14 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.706 -0.621 . . . . 0.0 110.433 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.511 HG12 ' HA ' ' A' ' 13' ' ' VAL . 4.0 pt -58.06 -32.46 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.702 -1.249 . . . . 0.0 110.077 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.481 ' N ' HG13 ' A' ' 16' ' ' ILE . . . -77.82 -44.03 13.22 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 59.7 mt -72.41 -42.12 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.398 -1.06 . . . . 0.0 110.207 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -56.7 -33.31 66.34 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.246 -0.909 . . . . 0.0 110.469 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 5.5 mtp180 -96.44 -73.64 0.59 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.373 -0.83 . . . . 0.0 109.216 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 20' ' ' ARG . 3.5 p30 167.11 52.31 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.431 -0.793 . . . . 0.0 109.753 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.0 mtt -138.07 125.1 21.38 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.85 -1.156 . . . . 0.0 110.776 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.436 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -66.84 124.51 23.15 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.261 -0.899 . . . . 0.0 109.386 179.176 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.704 HG22 HG23 ' A' ' 46' ' ' VAL . 23.2 t -106.59 120.59 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.188 -0.945 . . . . 0.0 109.705 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.72 ' HB2' HG22 ' A' ' 45' ' ' ILE . 23.5 m-70 -133.64 125.56 28.97 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.104 -0.998 . . . . 0.0 110.197 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 8.5 m-85 -114.0 146.5 40.07 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.357 -0.839 . . . . 0.0 109.501 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -167.2 146.73 5.26 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.922 -1.111 . . . . 0.0 110.628 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 49.9 t -88.0 151.6 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.125 -0.984 . . . . 0.0 108.907 179.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.696 HD21 ' CB ' ' A' ' 43' ' ' ALA . 1.8 mt -99.51 -33.79 10.51 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.007 -1.058 . . . . 0.0 110.222 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.73 105.25 3.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.973 -1.079 . . . . 0.0 111.208 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.525 ' HA ' ' CD2' ' A' ' 40' ' ' PHE . 2.0 pt-20 -113.84 -167.31 1.19 Allowed 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.583 ' HB3' ' HB2' ' A' ' 36' ' ' HIS . 1.7 tp10 -72.9 -168.82 0.51 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.876 -1.14 . . . . 0.0 110.112 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.58 -72.62 0.8 Allowed Glycine 0 N--CA 1.501 2.998 0 O-C-N 120.85 -1.156 . . . . 0.0 110.226 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' HIS . 37.0 Cg_endo -80.35 52.05 4.17 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 C-N-CA 122.372 2.048 . . . . 0.0 110.465 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 65.99 -64.58 0.2 Allowed 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.361 -0.837 . . . . 0.0 109.921 -179.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.583 ' HB2' ' HB3' ' A' ' 32' ' ' GLU . 1.0 OUTLIER 51.33 63.5 2.22 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.238 -0.914 . . . . 0.0 110.071 179.329 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.422 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 2.8 mtt 61.29 84.54 0.13 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.31 -0.869 . . . . 0.0 109.277 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.601 ' O ' ' NZ ' ' A' ' 62' ' ' LYS . 4.9 mtmt -44.78 97.17 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.632 -0.668 . . . . 0.0 111.342 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 56' ' ' ASN . 70.0 m-80 -144.44 -135.39 0.09 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 120.978 -1.076 . . . . 0.0 109.654 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.525 ' CD2' ' HA ' ' A' ' 31' ' ' GLU . 62.4 m-85 62.97 -151.99 0.34 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.912 -1.117 . . . . 0.0 109.749 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.569 ' CG2' HD12 ' A' ' 29' ' ' LEU . 2.1 mp -57.2 108.29 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.243 0 O-C-N 120.772 -1.205 . . . . 0.0 110.363 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 92.4 m -109.34 141.84 41.1 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.338 -0.852 . . . . 0.0 109.206 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.696 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -125.11 155.32 40.06 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.193 -0.942 . . . . 0.0 109.809 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.422 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 1.7 p -147.09 146.86 30.1 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.284 -0.885 . . . . 0.0 110.325 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.72 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.1 tt -127.66 142.61 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.362 -0.837 . . . . 0.0 109.221 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 24' ' ' VAL . 9.9 p -138.19 108.31 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.415 -0.803 . . . . 0.0 109.957 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.2 -92.37 0.05 OUTLIER Glycine 0 N--CA 1.503 3.111 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.1 t -126.76 20.92 7.06 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.336 -1.096 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -126.05 129.37 72.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.999 -1.063 . . . . 0.0 109.708 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.646 HG22 HG13 ' A' ' 45' ' ' ILE . 1.7 t -113.17 150.98 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.059 -1.026 . . . . 0.0 108.757 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 m -150.59 162.8 39.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.967 -1.083 . . . . 0.0 110.529 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -120.71 169.62 10.22 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.695 0.759 . . . . 0.0 110.788 -179.183 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -166.13 97.13 0.13 Allowed Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.816 -1.314 . . . . 0.0 109.816 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.8 OUTLIER -72.13 77.37 0.96 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.449 -1.03 . . . . 0.0 108.898 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.712 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -85.66 131.11 10.27 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.431 ' O ' HG12 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -72.04 -160.84 0.07 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.348 -1.089 . . . . 0.0 110.206 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.7 -153.57 1.59 Allowed Glycine 0 N--CA 1.5 2.937 0 O-C-N 120.974 -1.079 . . . . 0.0 110.631 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 86.8 mttt 61.55 9.85 2.95 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.292 -1.122 . . . . 0.0 111.118 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 2.5 mtmp? 73.18 7.64 5.3 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.354 -0.841 . . . . 0.0 110.703 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 61' ' ' SER . 9.7 p -56.54 -42.16 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 O-C-N 121.186 -0.946 . . . . 0.0 110.519 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.712 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -48.89 -41.27 32.86 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.726 -0.609 . . . . 0.0 111.549 -179.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.601 ' NZ ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -69.71 -17.42 63.46 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.893 -1.13 . . . . 0.0 110.61 179.843 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 1.3 mptt -98.36 -64.62 1.02 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.083 -1.011 . . . . 0.0 109.472 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.6 mmt-85 -51.58 -39.2 57.45 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.457 -0.777 . . . . 0.0 111.278 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.78 -50.01 68.49 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.812 -1.18 . . . . 0.0 108.859 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.489 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -63.77 -37.53 87.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.439 -0.788 . . . . 0.0 109.544 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 71' ' ' VAL . 35.0 mt-10 -55.88 -52.87 62.56 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.285 -0.884 . . . . 0.0 109.577 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 14.8 ttmt -55.48 -46.77 76.84 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.426 -0.796 . . . . 0.0 110.104 179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.1 ttt -67.41 -47.05 71.41 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.086 -1.009 . . . . 0.0 110.541 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.733 HD21 ' HA ' ' A' ' 13' ' ' VAL . 39.7 mt -63.26 -38.6 91.8 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.062 -1.024 . . . . 0.0 109.839 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 67' ' ' GLU . 53.7 t -58.73 -48.36 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.108 -0.995 . . . . 0.0 109.172 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' NZ ' ' A' ' 75' ' ' LYS . 47.8 mm-40 -70.89 -48.34 54.26 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.285 -0.884 . . . . 0.0 109.658 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -58.01 -37.16 73.8 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.062 -1.024 . . . . 0.0 110.435 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -68.65 -7.01 29.27 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.167 -0.958 . . . . 0.0 109.714 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' NZ ' ' OE1' ' A' ' 72' ' ' GLU . 12.7 ttmt -91.9 -9.52 42.92 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.411 -0.806 . . . . 0.0 109.783 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 N--CA 1.488 1.455 0 O-C-N 121.287 -0.883 . . . . 0.0 110.932 -179.066 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.906 0 C5'-C4'-C3' 111.077 -2.948 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.024 0 C5'-C4'-C3' 111.242 -2.838 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.423 ' N1 ' ' N3 ' ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.091 0 C5'-C4'-C3' 111.254 -2.831 . 0.234 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.344 0 O4'-C1'-N19 111.446 3.246 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.153 0 O4'-C1'-N19 110.957 2.757 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.163 0 O4'-C1'-N19 110.972 2.772 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.518 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.941 0 O4'-C1'-N19 111.121 2.921 . 0.192 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.518 ' C6 ' " H2'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.116 0 C5'-C4'-C3' 111.274 -2.817 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.05 0 C5'-C4'-C3' 111.214 -2.857 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.973 0 C5'-C4'-C3' 111.069 -2.954 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.758 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.095 0 C5'-C4'-C3' 111.355 -2.763 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.758 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.871 0 O4'-C1'-N19 111.12 2.92 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.699 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.044 0 O4'-C1'-N19 111.869 3.669 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.699 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C3'-C2'-C1' 104.489 3.321 . 0.375 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.067 0 C5'-C4'-C3' 111.684 -2.544 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.658 " H5'" ' OE1' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.612 1.93 0 C5'-C4'-C3' 111.141 -2.906 . 0.044 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.995 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.141 0 O4'-C1'-N19 111.232 3.032 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.995 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.227 0 C5'-C4'-C3' 111.312 -2.792 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.9 0 C5'-C4'-C3' 111.115 -2.923 . 0.155 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.172 0 C5'-C4'-C3' 110.993 -3.005 . 0.026 1e . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.565 " O5'" ' H8 ' ' B' ' 21' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.094 0 C5'-C4'-C3' 111.11 -2.927 . 0.015 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.962 0 C5'-C4'-C3' 111.104 -2.931 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.018 0 O4'-C1'-N19 111.066 2.866 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.151 0 O4'-C1'-N19 111.198 2.998 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.428 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.062 0 O4'-C1'-N19 111.149 2.949 . 0.46 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.428 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.056 0 O4'-C1'-N19 111.007 2.807 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.133 0 O4'-C1'-N19 111.278 3.078 . 0.031 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.423 ' N3 ' ' N1 ' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.076 0 C5'-C4'-C3' 111.198 -2.868 . 0.139 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.079 0 O4'-C1'-N19 111.146 2.946 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.017 0 O4'-C1'-N19 111.046 2.846 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.405 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 10.9 mtt . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.1 -52.44 2.76 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.405 ' OE2' ' N ' ' A' ' 1' ' ' MET . 3.5 mp0 58.05 -166.52 0.15 Allowed 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 121.647 0.737 . . . . 0.0 111.148 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.17 166.62 17.59 Favored Glycine 0 N--CA 1.5 2.961 0 O-C-N 120.626 -1.297 . . . . 0.0 110.185 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 63' ' ' LYS . 29.1 t0 -53.25 116.81 2.61 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.516 -0.991 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -161.55 58.47 0.27 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.23 -0.919 . . . . 0.0 110.233 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -58.22 -63.39 1.28 Allowed 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.047 -1.033 . . . . 0.0 110.348 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.88 111.34 63.07 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 120.977 -1.077 . . . . 0.0 109.723 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.434 ' HB2' ' HG3' ' A' ' 12' ' ' GLN . 35.6 Cg_endo -77.02 98.15 1.2 Allowed 'Trans proline' 0 C--N 1.314 -1.255 0 C-N-CA 122.681 2.254 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.543 ' O ' HG12 ' A' ' 13' ' ' VAL . 95.4 mt -53.68 -51.71 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.209 -0.932 . . . . 0.0 110.352 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -39.84 65.63 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 120.922 -1.111 . . . . 0.0 109.968 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.669 ' HA ' ' HG2' ' A' ' 15' ' ' GLU . 4.6 mt-30 -64.5 -50.16 68.5 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.514 -0.741 . . . . 0.0 109.778 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.95 HG23 HD21 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -59.24 -39.44 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 120.54 -1.35 . . . . 0.0 108.557 178.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.491 ' HA ' HG11 ' A' ' 24' ' ' VAL . 6.8 m-70 -63.41 -52.83 59.92 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.669 ' HG2' ' HA ' ' A' ' 12' ' ' GLN . 3.6 pt-20 -61.06 -40.83 95.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.359 -0.838 . . . . 0.0 110.162 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.665 ' N ' ' HG3' ' A' ' 15' ' ' GLU . 34.0 mm -68.41 -47.98 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 120.915 -1.115 . . . . 0.0 109.709 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.438 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -61.59 -51.95 54.23 Favored Glycine 0 N--CA 1.499 2.892 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.438 HG21 H5'' ' B' ' 16' ' ' ' C' . 41.8 mm -59.72 -47.7 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.392 -1.063 . . . . 0.0 109.446 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -55.77 -37.94 69.22 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.191 -0.943 . . . . 0.0 109.754 179.235 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -84.49 20.8 1.61 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.247 -0.908 . . . . 0.0 110.971 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.78 29.94 16.71 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.96 -1.087 . . . . 0.0 110.516 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.1 mtm -113.71 126.48 55.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.885 -1.134 . . . . 0.0 109.751 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.84 122.43 17.31 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.13 -0.981 . . . . 0.0 109.669 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 14' ' ' HIS . 20.4 t -115.05 107.1 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.244 -0.91 . . . . 0.0 109.644 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.529 ' HB2' HG22 ' A' ' 45' ' ' ILE . 84.3 m-70 -122.23 132.47 54.45 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.16 -0.962 . . . . 0.0 109.704 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -128.25 91.26 3.22 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.29 -0.881 . . . . 0.0 110.007 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 28' ' ' VAL . 1.4 ttpt -120.44 120.99 37.51 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.157 -0.964 . . . . 0.0 110.366 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.4 p -70.32 154.34 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.169 0 O-C-N 120.869 -1.144 . . . . 0.0 109.929 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.019 HD21 ' HB2' ' A' ' 43' ' ' ALA . 13.4 mt -91.22 -64.4 1.13 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.971 -1.081 . . . . 0.0 109.31 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -179.72 -172.85 0.23 Allowed 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.228 0.537 . . . . 0.0 109.924 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -82.64 160.24 22.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.363 -0.836 . . . . 0.0 110.442 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 39' ' ' ASN . 15.4 mt-10 -98.09 54.63 1.12 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.113 -0.992 . . . . 0.0 109.717 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.09 173.23 14.02 Favored Glycine 0 N--CA 1.5 2.952 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -74.16 -84.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.249 1.966 . . . . 0.0 112.259 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.72 -41.1 3.09 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.562 -1.336 . . . . 0.0 111.362 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 36' ' ' HIS . 17.1 p80 -72.22 56.93 0.35 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.975 -1.078 . . . . 0.0 111.094 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -179.27 -55.05 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.973 -1.079 . . . . 0.0 110.31 179.43 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.529 ' HE2' " O4'" ' B' ' 3' ' ' ' A' . 1.5 tttt 49.57 29.07 2.81 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.584 -0.698 . . . . 0.0 111.874 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.488 ' CB ' ' HB2' ' A' ' 32' ' ' GLU . 1.1 t30 -92.14 161.4 14.76 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.892 -1.13 . . . . 0.0 108.881 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -144.48 117.54 8.88 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.014 -1.054 . . . . 0.0 110.872 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 mm -85.85 124.0 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.008 -1.058 . . . . 0.0 109.256 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 34.4 m -100.62 146.24 27.39 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.21 -0.931 . . . . 0.0 109.396 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 1.019 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -118.35 121.44 40.4 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.835 -1.166 . . . . 0.0 109.779 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 6.5 p -134.83 152.2 51.56 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.961 -1.087 . . . . 0.0 109.094 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.758 HG13 HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -133.06 136.24 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.127 -0.983 . . . . 0.0 109.756 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.732 HG12 ' HE2' ' A' ' 69' ' ' MET . 4.8 p -168.88 131.64 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.687 -0.633 . . . . 0.0 109.637 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.31 -101.34 0.08 OUTLIER Glycine 0 N--CA 1.5 2.932 0 N-CA-C 110.241 -1.143 . . . . 0.0 110.241 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.5 t -120.82 14.97 11.73 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.374 -1.074 . . . . 0.0 110.82 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.574 HD11 ' HG3' ' A' ' 72' ' ' GLU . 41.8 mm -108.52 144.85 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 120.928 -1.107 . . . . 0.0 110.236 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.758 HG22 HG13 ' A' ' 45' ' ' ILE . 45.4 t -134.37 163.39 37.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.82 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 39.8 p 28.17 -94.53 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 mm-40 44.32 20.61 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 177.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.471 ' HA3' ' HB ' ' A' ' 42' ' ' THR . . . -86.88 84.54 1.56 Allowed Glycine 0 N--CA 1.499 2.887 0 O-C-N 120.504 -1.372 . . . . 0.0 110.885 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -87.88 74.12 9.07 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.165 -1.197 . . . . 0.0 110.206 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.759 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -82.61 124.62 6.58 Favored Glycine 0 N--CA 1.501 3.001 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' HA ' ' OD1' ' A' ' 39' ' ' ASN . 11.8 m-80 -91.8 24.21 3.27 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.102 -1.234 . . . . 0.0 111.185 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 59' ' ' LYS . . . 66.11 -48.3 0.18 Allowed Glycine 0 N--CA 1.506 3.356 0 O-C-N 120.841 -1.162 . . . . 0.0 111.814 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' ASN . 19.4 mtpt -53.33 82.05 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.438 -1.036 . . . . 0.0 111.972 -178.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 55.36 21.39 4.18 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.368 -0.832 . . . . 0.0 111.437 178.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.517 ' CG2' ' HB2' ' A' ' 64' ' ' ARG . 7.5 p -147.2 158.97 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 120.764 -1.21 . . . . 0.0 111.266 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.759 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 1.9 m 170.92 -86.91 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -45.76 86.39 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.216 -0.928 . . . . 0.0 108.822 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 70.6 mttt -50.98 -61.84 1.98 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.718 -0.614 . . . . 0.0 109.793 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.517 ' HB2' ' CG2' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -47.74 -47.48 30.24 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.625 -0.672 . . . . 0.0 110.49 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.27 -45.88 83.61 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.184 -0.947 . . . . 0.0 109.144 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.2 85.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.338 -0.851 . . . . 0.0 110.255 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.41 -42.88 70.97 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.206 -0.934 . . . . 0.0 109.442 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' O ' HG12 ' A' ' 71' ' ' VAL . 12.3 ttmt -63.46 -40.28 96.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.439 -0.788 . . . . 0.0 109.325 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.732 ' HE2' HG12 ' A' ' 46' ' ' VAL . 5.9 mtt -68.21 -43.39 78.15 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.219 -0.926 . . . . 0.0 109.876 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.95 HD21 HG23 ' A' ' 13' ' ' VAL . 32.3 mt -59.92 -52.39 65.6 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.156 -0.965 . . . . 0.0 110.361 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 68' ' ' LYS . 12.1 p -56.68 -34.56 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.053 -1.029 . . . . 0.0 109.747 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.574 ' HG3' HD11 ' A' ' 49' ' ' ILE . 2.9 tm-20 -73.09 -57.82 3.75 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.233 -0.917 . . . . 0.0 109.329 178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.6 mt -56.22 -28.44 58.36 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.282 -0.886 . . . . 0.0 110.308 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -87.43 9.96 19.06 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.088 -1.007 . . . . 0.0 109.681 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -115.49 -15.9 11.43 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.269 -0.895 . . . . 0.0 110.685 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.307 -179.649 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.449 ' N7 ' " H1'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.923 0 O4'-C1'-N19 111.287 3.087 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.449 " H1'" ' N7 ' ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.574 0 O4'-C1'-N19 110.979 2.779 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.538 " H2'" " O4'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.212 0 C5'-C4'-C3' 111.241 -2.839 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.538 " O4'" " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.962 0 C5'-C4'-C3' 111.197 -2.868 . 0.02 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.02 0 O4'-C1'-N19 110.987 2.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.05 0 O4'-C1'-N19 110.932 2.732 . 0.227 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.412 ' H6 ' " O5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.195 0 O4'-C1'-N19 111.105 2.905 . 0.143 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.42 " H2'" ' C8 ' ' B' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.987 0 C5'-C4'-C3' 111.409 -2.728 . 0.14 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . 0.42 ' C8 ' " H2'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.121 0 C5'-C4'-C3' 111.388 -2.741 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.049 0 C5'-C4'-C3' 111.337 -2.776 . 0.361 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.589 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.079 0 C5'-C4'-C3' 111.27 -2.82 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.589 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.431 -1.803 0 O4'-C1'-N19 110.983 2.783 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.013 0 O4'-C1'-N19 111.859 3.659 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.446 " H2'" ' C5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.503 0 C3'-C2'-C1' 104.923 3.803 . 0.075 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.504 ' H6 ' ' OP1' ' B' ' 15' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.117 0 O4'-C1'-N19 111.272 3.072 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.446 ' C5 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.129 0 O4'-C1'-N19 111.257 3.057 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.641 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.078 0 O4'-C1'-N19 110.946 2.746 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.004 0 C5'-C4'-C3' 111.151 -2.899 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 C5'-C4'-C3' 110.65 -3.233 . 0.153 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.444 ' H21' " H1'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.429 -1.968 0 C5'-C4'-C3' 111.005 -2.996 . 0.113 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.444 " H1'" ' H21' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.092 0 C5'-C4'-C3' 111.164 -2.891 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.554 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.929 0 C5'-C4'-C3' 111.121 -2.919 . 0.076 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.554 ' C8 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.001 0 O4'-C1'-N19 110.952 2.752 . 0.038 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.003 0 C5'-C4'-C3' 111.406 -2.729 . 0.383 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.026 0 O4'-C1'-N19 110.974 2.774 . 0.21 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.17 0 C5'-C4'-C3' 111.305 -2.797 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.912 0 C5'-C4'-C3' 111.422 -2.719 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.417 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.935 0 O4'-C1'-N19 111.095 2.895 . 0.245 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.505 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.041 0 O4'-C1'-N19 111.167 2.967 . 0.292 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.492 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.285 0 C5'-C4'-C3' 111.273 -2.818 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.496 1.85 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.4 140.96 51.17 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.017 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.67 160.07 16.6 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.224 -0.922 . . . . 0.0 111.211 -178.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.02 -169.23 42.31 Favored Glycine 0 N--CA 1.495 2.608 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.419 ' C ' ' HE3' ' A' ' 6' ' ' LYS . 11.4 t0 -100.89 -177.75 3.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.175 -1.191 . . . . 0.0 110.447 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HE3' ' N ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -89.82 96.32 10.63 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.219 -0.925 . . . . 0.0 109.447 -179.531 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -71.53 59.46 0.31 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.163 -0.961 . . . . 0.0 109.756 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.567 ' OG ' ' HB3' ' A' ' 11' ' ' SER . 0.3 OUTLIER -142.7 66.8 18.35 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 120.886 -1.134 . . . . 0.0 110.439 -179.556 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.5 Cg_endo -74.4 -46.73 0.27 Allowed 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 122.139 1.893 . . . . 0.0 110.677 179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 88.9 mt -94.69 -43.43 13.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.172 -0.955 . . . . 0.0 109.871 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.567 ' HB3' ' OG ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -49.81 -58.57 5.1 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.099 -1.0 . . . . 0.0 110.578 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -40.87 83.58 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.054 -1.029 . . . . 0.0 110.36 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.775 HG22 HD21 ' A' ' 70' ' ' LEU . 61.5 t -58.15 -42.29 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.813 -1.179 . . . . 0.0 108.61 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.651 ' HA ' HG21 ' A' ' 24' ' ' VAL . 20.3 m-70 -66.88 -36.1 81.54 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -61.42 -54.18 46.94 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.586 -0.696 . . . . 0.0 109.906 178.691 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.572 HD13 HD13 ' A' ' 73' ' ' LEU . 1.2 pp -67.96 -38.57 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.196 -0.94 . . . . 0.0 109.675 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.642 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -62.15 -52.37 50.29 Favored Glycine 0 N--CA 1.5 2.94 0 N-CA-C 108.753 -1.739 . . . . 0.0 108.753 179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.55 HG21 ' N7 ' ' B' ' 17' ' ' ' G' . 48.0 mm -79.93 61.02 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 4.0 ttmt -167.71 -53.2 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.099 -1.001 . . . . 0.0 109.379 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.04 34.19 1.6 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.213 -0.929 . . . . 0.0 109.471 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 55.24 54.62 8.49 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.327 -0.858 . . . . 0.0 110.087 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.642 ' HB2' ' HA2' ' A' ' 17' ' ' GLY . 3.8 mtt -120.74 132.89 55.3 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.036 -1.04 . . . . 0.0 110.123 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.539 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -85.83 100.13 11.85 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.106 -0.996 . . . . 0.0 110.152 -179.619 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.651 HG21 ' HA ' ' A' ' 14' ' ' HIS . 61.5 t -71.42 96.29 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 120.915 -1.116 . . . . 0.0 109.126 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.793 ' HB2' HG22 ' A' ' 45' ' ' ILE . 3.8 m-70 -117.18 78.41 1.22 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.929 -1.107 . . . . 0.0 110.211 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.498 ' CD1' ' HB2' ' A' ' 44' ' ' CYS . 5.1 m-85 -69.27 160.19 31.68 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.48 -0.762 . . . . 0.0 109.972 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? -175.2 -179.81 1.4 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.114 -0.991 . . . . 0.0 110.151 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.8 t -132.49 152.19 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.115 -0.991 . . . . 0.0 108.887 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 43' ' ' ALA . 8.0 mt -94.39 -52.33 4.39 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.155 -0.966 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 176.37 133.04 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.76 -0.587 . . . . 0.0 110.272 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.604 ' HA ' ' O ' ' A' ' 39' ' ' ASN . 2.2 pm0 -108.64 10.31 27.01 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.66 -0.65 . . . . 0.0 110.021 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.613 ' HB3' ' HD2' ' A' ' 38' ' ' LYS . 1.2 tp10 60.27 -171.05 0.14 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.332 -0.855 . . . . 0.0 110.661 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -77.14 120.41 5.6 Favored Glycine 0 N--CA 1.501 2.999 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.679 ' HA ' ' HG3' ' A' ' 38' ' ' LYS . 34.8 Cg_endo -75.61 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.315 -1.192 0 C-N-CA 122.651 2.234 . . . . 0.0 111.178 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.83 -66.52 0.21 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.3 -0.875 . . . . 0.0 109.59 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -131.36 98.62 4.59 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.247 -0.908 . . . . 0.0 110.023 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.52 102.65 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.154 0 CA-C-O 121.991 0.9 . . . . 0.0 110.87 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.679 ' HG3' ' HA ' ' A' ' 34' ' ' PRO . 4.8 mmtt -124.24 -177.02 3.65 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.957 -1.089 . . . . 0.0 110.389 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.604 ' O ' ' HA ' ' A' ' 31' ' ' GLU . 50.1 m-20 -136.68 131.94 34.26 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.516 -0.74 . . . . 0.0 109.074 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.499 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 40.9 m-85 -107.25 90.19 3.23 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.994 -1.066 . . . . 0.0 110.766 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.578 ' CG2' HD12 ' A' ' 29' ' ' LEU . 10.2 mm -73.73 100.76 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.098 -1.001 . . . . 0.0 109.257 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.684 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 25.5 m -93.33 144.72 25.05 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.209 -0.932 . . . . 0.0 110.466 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.595 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -134.99 157.56 46.6 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.433 -0.792 . . . . 0.0 109.944 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.519 ' C ' HG23 ' A' ' 50' ' ' VAL . 42.2 t -151.84 121.15 6.79 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.918 -1.114 . . . . 0.0 109.589 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.793 HG22 ' HB2' ' A' ' 25' ' ' HIS . 8.1 tt -101.2 135.87 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.05 -1.031 . . . . 0.0 109.699 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.601 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 98.7 t -136.68 114.47 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . 57.2 42.69 93.47 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 5.0 m 82.98 -33.04 0.08 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.841 -0.799 . . . . 0.0 111.297 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 69.4 mt -81.35 117.18 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.68 -1.262 . . . . 0.0 110.01 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.757 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 4.8 p -104.26 159.75 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 120.764 -1.21 . . . . 0.0 110.379 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.846 HG21 ' HB2' ' A' ' 69' ' ' MET . 14.7 t -122.2 142.68 50.17 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.22 134.25 51.33 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.253 -0.905 . . . . 0.0 108.86 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.513 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -129.54 93.43 0.33 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.05 83.19 0.22 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.628 -0.925 . . . . 0.0 110.015 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.635 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -85.57 141.49 18.87 Favored Glycine 0 N--CA 1.498 2.793 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.496 ' O ' ' HA ' ' A' ' 39' ' ' ASN . 2.5 t-20 -62.71 -70.36 0.21 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.235 -1.156 . . . . 0.0 110.076 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.499 ' HA2' ' CD1' ' A' ' 40' ' ' PHE . . . 164.97 134.52 1.67 Allowed Glycine 0 N--CA 1.499 2.894 0 O-C-N 120.754 -1.216 . . . . 0.0 110.676 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.52 -42.39 0.4 Allowed 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.531 -0.982 . . . . 0.0 111.472 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -94.23 -46.37 7.11 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.02 -1.05 . . . . 0.0 109.66 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 64' ' ' ARG . 1.5 t -128.72 149.07 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.123 -0.986 . . . . 0.0 110.989 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.635 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.4 OUTLIER 169.54 -86.53 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.272 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.595 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.2 OUTLIER -61.3 -42.16 98.19 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.151 -0.968 . . . . 0.0 109.024 178.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.23 -55.16 38.55 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.484 -0.76 . . . . 0.0 109.709 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.59 ' HB2' HG12 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -58.42 -45.78 87.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.459 -0.776 . . . . 0.0 110.175 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.684 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -57.01 -44.56 82.91 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.195 -0.94 . . . . 0.0 109.594 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -71.97 -42.2 66.8 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.508 -0.745 . . . . 0.0 110.187 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 71' ' ' VAL . 38.5 mt-10 -51.93 -54.63 27.21 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.245 -0.91 . . . . 0.0 109.499 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -58.47 -45.22 89.06 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.45 -0.781 . . . . 0.0 110.23 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.846 ' HB2' HG21 ' A' ' 51' ' ' THR . 1.3 ttt -60.82 -52.5 64.79 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.014 -1.054 . . . . 0.0 109.639 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.775 HD21 HG22 ' A' ' 13' ' ' VAL . 85.4 mt -59.81 -44.64 93.9 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.465 -0.772 . . . . 0.0 109.482 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 67' ' ' GLU . 36.7 t -54.59 -39.26 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.269 -0.895 . . . . 0.0 109.832 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.18 -55.13 5.33 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.415 -0.803 . . . . 0.0 110.44 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.771 HD21 HD23 ' A' ' 70' ' ' LEU . 2.9 pp -62.44 -24.92 67.69 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.851 -1.156 . . . . 0.0 111.473 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -76.17 6.85 4.82 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.674 -1.267 . . . . 0.0 110.485 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -106.05 -17.66 14.26 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.99 -1.069 . . . . 0.0 110.314 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.485 1.306 0 O-C-N 121.302 -0.874 . . . . 0.0 109.845 -179.059 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.428 " H5'" ' N3 ' ' B' ' 1' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.434 1.577 0 O4'-C1'-N19 111.557 3.357 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.477 ' C2 ' ' N4 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.176 0 C5'-C4'-C3' 110.925 -3.05 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.021 0 C5'-C4'-C3' 111.211 -2.859 . 0.041 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.186 0 O4'-C1'-N19 111.181 2.981 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.047 0 C5'-C4'-C3' 111.056 -2.963 . 0.011 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.212 0 C5'-C4'-C3' 111.116 -2.923 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.459 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.081 0 C5'-C4'-C3' 111.11 -2.927 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.475 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.012 0 C5'-C4'-C3' 111.274 -2.817 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.99 0 C5'-C4'-C3' 111.309 -2.794 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.428 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.947 0 C5'-C4'-C3' 111.178 -2.881 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.705 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.213 0 O4'-C1'-N19 111.168 2.968 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.705 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.999 0 O4'-C1'-N19 111.032 2.832 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.919 0 O4'-C1'-N19 112.062 3.862 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.724 HO2' ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.048 0 C3'-C2'-C1' 104.482 3.314 . 0.093 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.513 " O5'" ' H6 ' ' B' ' 15' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.871 0 C5'-C4'-C3' 111.413 -2.724 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.724 ' H5 ' HO2' ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.967 0 C5'-C4'-C3' 111.296 -2.803 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.686 ' N3 ' " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.342 0 C5'-C4'-C3' 110.677 -3.215 OUTLIER-DELTA 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.623 " C1'" ' H21' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 111.33 -2.78 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.214 0 C5'-C4'-C3' 111.045 -2.97 . 0.187 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.448 ' C2 ' " H1'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.048 0 C5'-C4'-C3' 111.237 -2.842 . 0.15 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.002 0 C5'-C4'-C3' 111.066 -2.956 . 0.183 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.99 0 C5'-C4'-C3' 111.231 -2.846 . 0.041 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.028 0 C5'-C4'-C3' 111.28 -2.814 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.011 0 C5'-C4'-C3' 111.285 -2.81 . 0.033 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.965 0 C5'-C4'-C3' 111.225 -2.85 . 0.314 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.466 " H2'" " O4'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.116 0 C5'-C4'-C3' 111.225 -2.85 . 0.049 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.466 " O4'" " H2'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.42 -2.732 0 C3'-C2'-C1' 104.146 2.94 . 0.297 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.416 " H2'" " O4'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.992 0 C5'-C4'-C3' 111.005 -2.997 . 0.023 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.416 " O4'" " H2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.186 0 C5'-C4'-C3' 111.1 -2.933 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.477 ' N4 ' ' C2 ' ' B' ' 2' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.338 0 C5'-C4'-C3' 111.269 -2.82 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.54 177.22 7.78 Favored 'General case' 0 C--N 1.3 -1.585 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.275 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -137.91 170.77 15.47 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.404 -0.81 . . . . 0.0 110.388 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.18 -160.44 46.18 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -133.29 153.84 51.22 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.561 -0.964 . . . . 0.0 109.289 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -91.66 29.36 1.54 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.043 -1.036 . . . . 0.0 110.327 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' C ' ' HD3' ' A' ' 9' ' ' PRO . 4.4 ptpt -115.01 44.46 1.79 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.073 -1.017 . . . . 0.0 109.693 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.477 ' HB3' ' HG3' ' A' ' 12' ' ' GLN . 23.2 t -118.46 77.82 14.12 Favored Pre-proline 0 N--CA 1.498 1.971 0 O-C-N 121.138 -0.976 . . . . 0.0 109.483 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' VAL . 36.8 Cg_endo -79.44 -61.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.202 0 C-N-CA 122.465 2.11 . . . . 0.0 110.818 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.0 mm -64.29 -49.45 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.905 -1.122 . . . . 0.0 110.199 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -64.79 0.75 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.42 -0.8 . . . . 0.0 110.455 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.477 ' HG3' ' HB3' ' A' ' 8' ' ' SER . 32.6 mt-30 -49.1 -41.27 35.2 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.165 -0.959 . . . . 0.0 110.754 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.797 HG21 ' HB1' ' A' ' 66' ' ' ALA . 41.6 t -59.33 -48.48 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.761 -1.212 . . . . 0.0 108.505 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -63.35 -40.11 96.38 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 2.6 mt-10 -57.94 -52.89 63.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.528 -0.733 . . . . 0.0 109.424 178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.569 HD12 HD23 ' A' ' 70' ' ' LEU . 70.0 mt -62.12 -43.47 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.092 -1.005 . . . . 0.0 109.769 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.36 -44.2 98.36 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.402 HD13 ' C8 ' ' B' ' 17' ' ' ' G' . 14.6 mt -76.79 -34.26 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.613 -0.933 . . . . 0.0 109.954 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -54.81 -23.89 20.28 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.292 -0.88 . . . . 0.0 111.227 -179.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.38 -74.49 0.61 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.102 -0.999 . . . . 0.0 109.883 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.6 p30 170.12 47.37 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.463 -0.773 . . . . 0.0 109.695 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.423 ' SD ' HD23 ' A' ' 73' ' ' LEU . 1.8 mtt -119.08 101.11 7.78 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.762 -1.211 . . . . 0.0 110.355 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.65 112.51 2.03 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.305 -0.872 . . . . 0.0 109.092 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 24' ' ' VAL . 13.1 p -89.96 125.11 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.443 -0.786 . . . . 0.0 110.261 -179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.873 ' HB2' HG22 ' A' ' 45' ' ' ILE . 87.3 m-70 -125.34 109.13 12.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.17 -0.956 . . . . 0.0 109.747 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -94.78 110.4 22.27 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.347 -0.846 . . . . 0.0 109.826 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 5.0 tttm -149.09 118.31 6.81 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.059 -1.026 . . . . 0.0 110.44 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.724 HG11 ' HG2' ' A' ' 31' ' ' GLU . 46.4 t -55.57 145.38 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 120.94 -1.1 . . . . 0.0 109.053 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.867 HD23 ' HB2' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -87.63 -39.89 14.66 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.054 -1.029 . . . . 0.0 108.926 179.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.2 ttp85 -172.4 114.52 0.3 Allowed 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.724 ' HG2' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -93.72 165.36 12.74 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.386 -0.821 . . . . 0.0 109.955 -179.423 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.505 ' O ' ' HD3' ' A' ' 34' ' ' PRO . 2.7 mt-10 -96.32 -178.02 4.16 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.381 -0.824 . . . . 0.0 108.813 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.603 ' O ' ' HG3' ' A' ' 38' ' ' LYS . . . -66.66 110.69 3.63 Favored Glycine 0 N--CA 1.505 3.296 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.505 ' HD3' ' O ' ' A' ' 32' ' ' GLU . 33.7 Cg_endo -73.98 71.23 4.28 Favored 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 122.052 1.835 . . . . 0.0 111.079 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -149.14 -60.26 0.22 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.178 -0.951 . . . . 0.0 110.443 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -95.98 77.02 3.14 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.068 -1.02 . . . . 0.0 111.354 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 42.32 83.47 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 CA-C-O 121.582 0.706 . . . . 0.0 111.973 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 33' ' ' GLY . 6.0 mmpt? -124.18 154.25 40.36 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.757 -1.215 . . . . 0.0 110.127 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.32 153.81 18.34 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.393 -0.817 . . . . 0.0 110.331 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.433 ' HD2' ' HA2' ' A' ' 57' ' ' GLY . 12.7 m-85 -109.53 114.78 28.7 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.185 -0.947 . . . . 0.0 110.409 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.565 ' O ' HG13 ' A' ' 28' ' ' VAL . 2.6 mp -97.38 106.78 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.822 -1.174 . . . . 0.0 109.33 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.539 ' HA ' HG22 ' A' ' 28' ' ' VAL . 95.5 m -94.95 140.78 29.46 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.176 -0.953 . . . . 0.0 110.489 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.867 ' HB2' HD23 ' A' ' 29' ' ' LEU . . . -108.38 144.42 35.97 Favored 'General case' 0 N--CA 1.486 1.375 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 49.7 t -142.87 149.67 38.83 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.987 -1.071 . . . . 0.0 110.234 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.873 HG22 ' HB2' ' A' ' 25' ' ' HIS . 5.5 tt -129.42 148.76 33.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.371 -0.831 . . . . 0.0 109.094 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.563 HG21 HD21 ' A' ' 73' ' ' LEU . 3.7 m -138.13 101.03 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.206 -0.934 . . . . 0.0 109.745 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.47 -87.62 0.12 Allowed Glycine 0 N--CA 1.5 2.921 0 N-CA-C 110.021 -1.232 . . . . 0.0 110.021 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.1 p -131.13 18.5 4.96 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.269 -1.136 . . . . 0.0 110.719 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.496 ' HB ' HG23 ' A' ' 46' ' ' VAL . 32.1 mm -122.99 142.14 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.914 -1.116 . . . . 0.0 109.673 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.559 HG22 HG13 ' A' ' 45' ' ' ILE . 1.5 t -118.69 148.65 21.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.283 -0.886 . . . . 0.0 109.431 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.498 ' HB ' ' CG ' ' A' ' 69' ' ' MET . 1.2 m -162.82 147.23 11.58 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.494 -0.754 . . . . 0.0 109.07 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -122.88 177.9 5.28 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.117 -0.99 . . . . 0.0 110.743 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.554 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -142.06 127.98 3.43 Favored Glycine 0 N--CA 1.501 2.975 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -91.53 36.95 0.95 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.588 -0.948 . . . . 0.0 110.583 -179.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -55.42 148.56 25.53 Favored Glycine 0 N--CA 1.502 3.041 0 O-C-N 120.896 -1.128 . . . . 0.0 110.346 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -54.8 -67.36 0.28 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.388 -1.066 . . . . 0.0 109.794 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' HA2' ' HD2' ' A' ' 40' ' ' PHE . . . -110.41 169.41 13.47 Favored Glycine 0 N--CA 1.497 2.732 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -52.61 -35.49 54.54 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.147 -1.207 . . . . 0.0 110.122 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.514 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 20.3 mtmt -57.59 -21.31 38.31 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.334 -0.854 . . . . 0.0 110.083 178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 t -113.33 -41.41 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 121.209 -0.932 . . . . 0.0 109.381 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.438 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 18.9 t -45.19 -61.32 1.69 Allowed 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.752 -0.593 . . . . 0.0 111.856 -179.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.33 -42.02 99.04 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.293 -0.88 . . . . 0.0 110.858 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' A' ' 59' ' ' LYS . 5.0 mttt -64.81 -48.97 72.5 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.247 -0.908 . . . . 0.0 109.779 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 68' ' ' LYS . 4.2 tpt85 -57.56 -44.15 85.04 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.573 -0.704 . . . . 0.0 110.128 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.554 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -68.76 -45.75 70.59 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.328 -0.858 . . . . 0.0 110.19 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.797 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -57.61 -64.65 0.83 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.297 -0.877 . . . . 0.0 110.961 -179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.5 mm-40 -51.19 -48.38 61.97 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.22 -0.925 . . . . 0.0 109.905 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -53.71 -37.53 63.37 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.274 -0.891 . . . . 0.0 110.51 179.346 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.498 ' CG ' ' HB ' ' A' ' 51' ' ' THR . 16.6 mtp -66.29 -53.35 37.65 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.137 -0.977 . . . . 0.0 109.255 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.697 HD21 ' HA ' ' A' ' 13' ' ' VAL . 10.5 mp -57.56 -41.18 80.52 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.415 -0.803 . . . . 0.0 109.212 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 67' ' ' GLU . 76.1 t -57.15 -34.79 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.332 -0.855 . . . . 0.0 109.842 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -85.27 -58.41 2.69 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.59 -0.694 . . . . 0.0 109.423 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 46' ' ' VAL . 9.5 mp -54.46 -33.18 59.17 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.421 -0.799 . . . . 0.0 111.255 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.98 24.16 0.95 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.723 -1.236 . . . . 0.0 109.449 178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 -8.0 2.78 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.385 -0.822 . . . . 0.0 110.755 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.225 -0.922 . . . . 0.0 110.196 -179.544 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.274 0 C5'-C4'-C3' 111.252 -2.832 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.191 0 O4'-C1'-N19 111.044 2.844 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.43 " H2'" ' C6 ' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.918 0 C5'-C4'-C3' 111.123 -2.918 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.43 ' C6 ' " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.442 2.318 0 O4'-C1'-N19 111.077 2.877 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.081 0 O4'-C1'-N19 111.09 2.89 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.234 0 C5'-C4'-C3' 111.218 -2.855 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.489 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.119 0 O4'-C1'-N19 111.061 2.861 . 0.041 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.598 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.099 0 O4'-C1'-N19 110.933 2.733 . 0.107 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . 0.405 " H2'" ' C6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.485 0 C5'-C4'-C3' 111.262 -2.825 . 0.433 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.405 ' C6 ' " H2'" ' B' ' 9' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.954 0 C5'-C4'-C3' 111.147 -2.902 . 0.039 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.593 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.105 0 C5'-C4'-C3' 111.05 -2.966 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.038 0 C5'-C4'-C3' 110.927 -3.049 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.107 0 C5'-C4'-C3' 111.257 -2.828 . 0.198 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.514 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C5'-C4'-C3' 110.976 -3.016 . 0.167 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.01 0 O4'-C1'-N19 111.27 3.07 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.514 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 C2'--O2' 1.435 1.654 0 O4'-C1'-N19 111.149 2.949 . 0.091 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.821 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.122 0 O4'-C1'-N19 111.148 2.948 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.821 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.101 0 C5'-C4'-C3' 111.321 -2.786 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.717 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.135 0 C5'-C4'-C3' 111.278 -2.815 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.493 " H2'" ' N3 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.012 0 C5'-C4'-C3' 111.128 -2.915 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.443 " H2'" ' C6 ' ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.092 0 C5'-C4'-C3' 111.256 -2.829 . 0.046 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.501 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.134 0 C5'-C4'-C3' 111.313 -2.792 . 0.257 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.151 -2.899 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . 0.503 " H2'" " O4'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.825 0 C5'-C4'-C3' 111.233 -2.845 . 0.175 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.503 " O4'" " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.075 0 O4'-C1'-N19 111.044 2.844 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.053 0 O4'-C1'-N19 111.089 2.889 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.07 0 C5'-C4'-C3' 111.361 -2.759 . 0.07 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.502 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.001 0 C5'-C4'-C3' 111.263 -2.825 . 0.298 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.994 0 C5'-C4'-C3' 111.343 -2.771 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.539 0 O4'-C1'-N19 110.937 2.737 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.3 mmm . . . . . 0 N--CA 1.501 2.076 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.57 122.57 19.03 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.168 0.509 . . . . 0.0 109.807 -176.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -118.83 168.73 10.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.307 -0.871 . . . . 0.0 110.029 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.82 67.25 0.56 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.66 -49.48 6.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.542 -0.975 . . . . 0.0 109.792 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.498 ' HG3' ' OE1' ' A' ' 12' ' ' GLN . 21.4 tttm 62.63 79.3 0.26 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.417 -0.802 . . . . 0.0 110.178 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.415 ' O ' ' CB ' ' A' ' 8' ' ' SER . 14.8 mttt -66.13 68.84 0.05 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.316 -0.865 . . . . 0.0 110.235 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.522 ' HB3' ' OG ' ' A' ' 11' ' ' SER . 0.2 OUTLIER 76.72 156.44 0.15 Allowed Pre-proline 0 N--CA 1.506 2.366 0 O-C-N 121.406 -0.809 . . . . 0.0 110.449 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.681 ' O ' HG23 ' A' ' 13' ' ' VAL . 36.0 Cg_endo -78.3 -52.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 122.546 2.164 . . . . 0.0 111.23 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.542 HD11 ' HG2' ' A' ' 62' ' ' LYS . 12.4 mt -51.3 -48.12 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.32 0 O-C-N 121.483 -0.761 . . . . 0.0 110.412 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' A' ' 8' ' ' SER . 0.0 OUTLIER -54.62 -60.55 3.21 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.577 -0.702 . . . . 0.0 110.075 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.498 ' OE1' ' HG3' ' A' ' 6' ' ' LYS . 30.5 mt-30 -55.72 -37.71 68.78 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.211 -0.931 . . . . 0.0 110.072 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.907 HG22 HD21 ' A' ' 70' ' ' LEU . 61.5 t -62.26 -43.66 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 120.886 -1.134 . . . . 0.0 108.219 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -66.46 -39.92 89.1 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 177.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 24.8 mt-10 -59.88 -54.85 41.37 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.675 -0.64 . . . . 0.0 109.856 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.2 tp -62.38 -37.95 80.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 O-C-N 120.957 -1.089 . . . . 0.0 109.988 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.571 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -65.16 -52.52 40.26 Favored Glycine 0 N--CA 1.499 2.873 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.6 mt -62.11 -43.12 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.529 -0.983 . . . . 0.0 108.696 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.1 mttm -62.98 -16.33 59.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.455 -0.778 . . . . 0.0 110.499 179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.81 21.77 12.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.009 -1.057 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.07 39.02 29.46 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.098 -1.001 . . . . 0.0 110.479 179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -109.38 133.96 52.42 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.907 -1.121 . . . . 0.0 109.953 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.427 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -74.3 87.91 2.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.113 -0.992 . . . . 0.0 109.755 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.571 HG21 ' HA3' ' A' ' 17' ' ' GLY . 97.5 t -93.79 112.1 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.397 -0.814 . . . . 0.0 109.193 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.633 ' HB2' HG22 ' A' ' 45' ' ' ILE . 11.3 m-70 -131.02 126.09 35.0 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.214 -0.929 . . . . 0.0 109.378 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CE2' HG12 ' A' ' 10' ' ' ILE . 6.2 m-85 -100.54 148.32 24.93 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.32 -0.862 . . . . 0.0 110.213 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.1 110.7 3.55 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.411 -0.806 . . . . 0.0 109.381 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.623 HG21 ' HE2' ' A' ' 62' ' ' LYS . 6.7 t -86.6 139.76 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.899 -1.126 . . . . 0.0 109.303 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD12 ' CG2' ' A' ' 41' ' ' ILE . 3.4 mt -92.52 -40.34 10.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.281 -0.887 . . . . 0.0 109.719 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' O ' ' HA ' ' A' ' 40' ' ' PHE . 2.3 mpt_? -158.74 117.8 3.05 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.467 -0.77 . . . . 0.0 110.001 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.532 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -105.52 36.32 2.56 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.281 -0.887 . . . . 0.0 109.57 179.307 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.84 -82.38 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.188 -0.945 . . . . 0.0 109.123 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.2 -116.61 4.24 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.759 ' HG2' ' HB3' ' A' ' 37' ' ' MET . 37.3 Cg_endo -82.34 121.04 3.37 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.232 1.955 . . . . 0.0 109.748 179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -40.16 -29.1 0.07 Allowed 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.421 -0.799 . . . . 0.0 111.878 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -81.79 -53.98 5.75 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.1 -1.0 . . . . 0.0 110.488 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.759 ' HB3' ' HG2' ' A' ' 34' ' ' PRO . 6.1 ttt -93.1 67.09 4.19 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.077 -1.014 . . . . 0.0 109.298 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.9 mtmm -68.71 82.79 0.29 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.599 -0.688 . . . . 0.0 110.412 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -101.08 157.73 16.54 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.191 -0.943 . . . . 0.0 109.627 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.532 ' CD2' ' HB3' ' A' ' 31' ' ' GLU . 25.1 m-85 -123.78 98.7 5.93 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.141 -0.974 . . . . 0.0 110.197 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.672 HG23 ' HG2' ' A' ' 54' ' ' GLU . 1.4 mt -90.03 106.2 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 120.676 -1.265 . . . . 0.0 109.543 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 88.5 m -109.72 122.76 48.2 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.153 -0.967 . . . . 0.0 110.273 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.685 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -107.63 143.95 35.37 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.203 -0.936 . . . . 0.0 108.964 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.465 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 4.1 m -142.33 152.04 42.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.854 -1.153 . . . . 0.0 110.455 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.678 HG13 HG22 ' A' ' 50' ' ' VAL . 17.5 tt -121.49 140.89 44.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.157 -0.964 . . . . 0.0 109.029 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.81 HG21 ' HB3' ' A' ' 73' ' ' LEU . 12.5 p -132.92 74.88 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.307 -0.87 . . . . 0.0 109.839 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.427 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 43.53 -87.76 0.01 OUTLIER Glycine 0 N--CA 1.506 3.321 0 O-C-N 121.81 -0.556 . . . . 0.0 112.007 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 46' ' ' VAL . 48.7 m -44.87 -43.27 8.69 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.836 -0.802 . . . . 0.0 112.153 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -154.47 176.8 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.46 -1.4 . . . . 0.0 111.924 -178.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.678 HG22 HG13 ' A' ' 45' ' ' ILE . 1.5 t -120.12 148.25 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.497 ' N ' ' HE1' ' A' ' 69' ' ' MET . 4.7 m -150.29 143.31 24.84 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.175 -0.953 . . . . 0.0 110.229 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.685 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 10.5 pt-20 -111.15 169.0 9.08 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.113 -0.992 . . . . 0.0 109.629 179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.95 106.38 0.3 Allowed Glycine 0 N--CA 1.497 2.73 0 C-N-CA 119.929 -1.129 . . . . 0.0 110.47 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.672 ' HG2' HG23 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -85.38 78.28 9.77 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.456 -1.026 . . . . 0.0 109.194 179.255 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -92.0 162.43 27.43 Favored Glycine 0 N--CA 1.499 2.874 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -78.07 -167.13 0.94 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.925 -1.338 . . . . 0.0 109.841 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.59 -146.51 0.68 Allowed Glycine 0 N--CA 1.497 2.715 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 22.1 mmtt 50.25 30.5 4.43 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.167 -1.196 . . . . 0.0 110.102 -179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 48.9 mttt 65.97 10.35 6.88 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.454 -0.779 . . . . 0.0 111.206 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.4 t -59.18 -50.93 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.729 -1.232 . . . . 0.0 109.658 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.519 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 32.6 t -59.58 -62.0 2.2 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.452 -0.78 . . . . 0.0 110.902 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.623 ' HE2' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -53.41 -32.8 51.3 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.566 -0.709 . . . . 0.0 110.459 -179.578 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 59' ' ' LYS . 3.5 ttpp -83.31 -60.4 2.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.116 -0.99 . . . . 0.0 109.73 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -50.7 -43.37 57.71 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.512 -0.743 . . . . 0.0 110.749 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.82 -47.73 83.78 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.133 -0.98 . . . . 0.0 109.129 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.713 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -68.28 -45.88 71.87 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.329 -0.857 . . . . 0.0 110.278 179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -53.23 -48.1 68.46 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.164 -0.96 . . . . 0.0 109.812 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.54 -42.48 92.44 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.164 -0.96 . . . . 0.0 109.604 179.283 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.497 ' HE1' ' N ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -67.66 -39.12 84.57 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.123 -0.986 . . . . 0.0 109.568 179.291 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.907 HD21 HG22 ' A' ' 13' ' ' VAL . 33.6 mt -53.92 -53.41 53.02 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.504 -0.747 . . . . 0.0 110.224 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 68' ' ' LYS . 11.0 p -63.79 -33.58 62.78 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.056 -1.027 . . . . 0.0 109.673 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.5 OUTLIER -66.63 -60.44 2.7 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.362 -0.836 . . . . 0.0 110.185 179.723 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.81 ' HB3' HG21 ' A' ' 46' ' ' VAL . 1.4 pp -64.17 -26.84 68.7 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 120.673 -1.267 . . . . 0.0 111.175 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -83.5 -12.81 55.81 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.815 -1.178 . . . . 0.0 110.794 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.586 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -101.74 -26.09 13.61 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.917 -1.114 . . . . 0.0 110.06 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.406 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 5.2 mt . . . . . 0 N--CA 1.484 1.23 0 C-N-CA 122.669 0.388 . . . . 0.0 111.236 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.13 0 C5'-C4'-C3' 111.209 -2.861 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 0 C5'-C4'-C3' 111.306 -2.796 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.954 0 C5'-C4'-C3' 111.299 -2.801 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.054 0 O4'-C1'-N19 111.089 2.889 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.054 0 C5'-C4'-C3' 111.232 -2.845 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.006 0 C5'-C4'-C3' 111.088 -2.942 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.958 0 C5'-C4'-C3' 110.941 -3.039 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.4 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.891 0 C5'-C4'-C3' 111.169 -2.887 . 0.075 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.069 0 O4'-C1'-N19 111.059 2.859 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.51 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.008 0 O4'-C1'-N19 111.018 2.818 . 0.295 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.913 0 C5'-C4'-C3' 111.218 -2.855 . 0.144 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.047 0 O4'-C1'-N19 111.17 2.97 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.691 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.28 0 O4'-C1'-N19 111.155 2.955 . 0.049 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.422 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.472 0 C3'-C2'-C1' 104.469 3.298 . 0.214 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.067 0 C5'-C4'-C3' 111.415 -2.723 . 0.15 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.422 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.161 0 C5'-C4'-C3' 111.231 -2.846 . 0.033 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.692 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.817 0 C5'-C4'-C3' 110.93 -3.047 . 0.348 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.692 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.167 0 O4'-C1'-N19 111.015 2.815 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.121 0 C5'-C4'-C3' 111.22 -2.853 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.873 0 C5'-C4'-C3' 111.222 -2.852 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.966 0 C5'-C4'-C3' 111.209 -2.86 . 0.038 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.581 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.087 0 C5'-C4'-C3' 111.21 -2.86 . 0.027 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.062 0 C5'-C4'-C3' 111.064 -2.957 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.927 0 C5'-C4'-C3' 111.047 -2.969 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.015 0 C5'-C4'-C3' 111.252 -2.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.934 0 C5'-C4'-C3' 111.221 -2.853 . 0.409 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.016 0 O4'-C1'-N19 110.941 2.741 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.614 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.045 0 C5'-C4'-C3' 111.056 -2.962 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.943 0 C5'-C4'-C3' 111.1 -2.933 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.365 0 C5'-C4'-C3' 110.995 -3.004 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 N--CA 1.495 1.823 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -79.81 172.32 13.94 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.584 -0.697 . . . . 0.0 110.501 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.404 ' CD ' ' HZ3' ' A' ' 7' ' ' LYS . 7.7 tm-20 -178.38 -39.63 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.156 0 CA-C-O 121.169 0.509 . . . . 0.0 109.851 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.485 ' HA3' ' HE3' ' A' ' 7' ' ' LYS . . . 110.82 96.5 2.37 Favored Glycine 0 N--CA 1.504 3.194 0 O-C-N 120.67 -1.268 . . . . 0.0 109.941 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 6' ' ' LYS . 6.0 m-20 -69.6 160.95 30.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.713 -0.875 . . . . 0.0 111.635 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 5' ' ' ASP . 19.5 mttt 30.99 61.26 0.23 Allowed 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 121.286 0.565 . . . . 0.0 112.2 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.485 ' HE3' ' HA3' ' A' ' 4' ' ' GLY . 2.6 mttp -72.44 86.52 1.15 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.742 -1.224 . . . . 0.0 109.427 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.536 ' OG ' ' CB ' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -114.58 88.87 16.86 Favored Pre-proline 0 N--CA 1.499 2.002 0 O-C-N 121.528 -0.732 . . . . 0.0 110.089 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 37.4 Cg_endo -80.31 -89.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 122.438 2.092 . . . . 0.0 111.766 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.443 ' O ' HG12 ' A' ' 13' ' ' VAL . 48.5 mm -119.51 -47.76 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 120.727 -1.233 . . . . 0.0 110.731 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.3 -52.25 16.85 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.129 -0.982 . . . . 0.0 110.215 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.536 ' CB ' ' OG ' ' A' ' 8' ' ' SER . 3.1 mm-40 -62.78 -44.1 97.06 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.319 -0.863 . . . . 0.0 110.073 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.544 HG23 ' CG ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -56.88 -39.94 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.047 -1.033 . . . . 0.0 108.678 179.112 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.515 ' HA ' HG21 ' A' ' 24' ' ' VAL . 17.6 m-70 -69.46 -41.55 76.08 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.471 ' OE2' ' NZ ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.69 -47.1 64.03 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.447 0.641 . . . . 0.0 109.289 178.556 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.32 -49.15 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 121.234 -0.916 . . . . 0.0 109.663 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.07 -51.73 56.63 Favored Glycine 0 N--CA 1.499 2.885 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.5 mm -57.74 -47.84 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.409 -1.054 . . . . 0.0 109.458 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' NZ ' ' OE2' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -50.91 -39.11 53.61 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.375 -0.828 . . . . 0.0 110.121 179.462 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -99.02 24.58 7.63 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.276 -0.89 . . . . 0.0 110.253 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 m120 52.19 33.36 12.26 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.158 -0.964 . . . . 0.0 110.451 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 72.0 mtm -103.07 120.04 39.96 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.069 -1.019 . . . . 0.0 109.583 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.42 125.12 23.15 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.153 -0.967 . . . . 0.0 109.829 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.574 HG13 HG12 ' A' ' 46' ' ' VAL . 39.4 t -106.22 118.63 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.36 -0.838 . . . . 0.0 109.256 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.633 ' HB2' HG22 ' A' ' 45' ' ' ILE . 34.7 m-70 -129.89 126.52 38.15 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.092 -1.005 . . . . 0.0 110.38 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.494 ' CD2' ' HB2' ' A' ' 44' ' ' CYS . 23.1 m-85 -101.66 145.54 28.95 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.391 -0.818 . . . . 0.0 109.536 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -155.52 124.53 6.15 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.149 -0.969 . . . . 0.0 110.261 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 80.0 t -75.08 148.26 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.059 -1.026 . . . . 0.0 109.029 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.894 HD21 ' CB ' ' A' ' 43' ' ' ALA . 5.2 mt -96.66 -42.12 8.18 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.151 -0.968 . . . . 0.0 109.68 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -176.15 148.83 0.83 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 121.584 0.707 . . . . 0.0 110.598 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.2 pm0 -115.23 70.67 0.75 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.744 0.783 . . . . 0.0 109.68 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.43 110.53 11.05 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.637 -1.289 . . . . 0.0 110.128 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.647 ' HA3' ' HB3' ' A' ' 38' ' ' LYS . . . 173.93 77.25 0.05 OUTLIER Glycine 0 N--CA 1.497 2.705 0 C-N-CA 119.597 -1.287 . . . . 0.0 111.341 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -78.73 -34.65 1.26 Allowed 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 122.501 2.134 . . . . 0.0 110.688 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -173.39 -66.71 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' A' ' 37' ' ' MET . 9.8 m-70 -81.91 106.24 13.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.172 -0.955 . . . . 0.0 109.148 179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.446 ' CB ' ' O ' ' A' ' 36' ' ' HIS . 3.3 tpp 77.64 99.97 0.07 Allowed 'General case' 0 N--CA 1.507 2.39 0 CA-C-O 121.352 0.596 . . . . 0.0 110.731 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.647 ' HB3' ' HA3' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -124.31 122.22 37.13 Favored 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.934 -1.104 . . . . 0.0 109.816 -179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -127.17 162.69 25.54 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.53 -0.731 . . . . 0.0 110.469 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.573 ' CD1' ' HA2' ' A' ' 57' ' ' GLY . 11.6 m-85 -137.86 95.07 2.98 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.169 -0.957 . . . . 0.0 109.392 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.628 ' CG2' HD12 ' A' ' 29' ' ' LEU . 22.4 mt -81.7 115.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.849 -1.157 . . . . 0.0 110.296 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.51 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 62.6 m -112.72 130.0 56.22 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.179 -0.95 . . . . 0.0 109.821 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.894 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -109.1 166.26 10.98 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.147 -0.971 . . . . 0.0 110.15 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.494 ' HB2' ' CD2' ' A' ' 26' ' ' PHE . 29.1 t -159.64 152.47 21.65 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.332 -0.855 . . . . 0.0 110.34 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.633 HG22 ' HB2' ' A' ' 25' ' ' HIS . 12.6 tt -129.08 142.22 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.212 -0.93 . . . . 0.0 109.42 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.612 HG22 ' CE ' ' A' ' 69' ' ' MET . 16.4 m -134.22 105.34 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.166 -0.959 . . . . 0.0 109.956 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.57 -90.97 0.16 Allowed Glycine 0 N--CA 1.501 2.984 0 N-CA-C 110.229 -1.149 . . . . 0.0 110.229 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.4 p -130.48 23.58 5.12 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.314 -1.109 . . . . 0.0 110.455 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mp -130.04 136.69 58.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 120.967 -1.083 . . . . 0.0 109.846 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.432 HG22 HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -117.75 143.7 27.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.187 -0.945 . . . . 0.0 109.499 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.461 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 51.1 m -157.61 143.8 17.64 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.44 -0.787 . . . . 0.0 109.244 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.67 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.0 OUTLIER -121.82 -174.38 2.86 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.018 -1.051 . . . . 0.0 110.466 179.656 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.31 117.18 0.83 Allowed Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.759 -1.336 . . . . 0.0 109.759 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.28 72.97 5.9 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.252 -1.146 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.73 ' HA3' ' CA ' ' A' ' 61' ' ' SER . . . -74.29 173.21 51.32 Favored Glycine 0 N--CA 1.5 2.92 0 O-C-N 120.854 -1.154 . . . . 0.0 111.024 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -102.77 7.82 39.52 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.352 -1.087 . . . . 0.0 111.505 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.573 ' HA2' ' CD1' ' A' ' 40' ' ' PHE . . . 156.68 -147.91 17.02 Favored Glycine 0 N--CA 1.503 3.118 0 O-C-N 120.425 -1.422 . . . . 0.0 111.202 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -37.57 54.79 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.857 -0.79 . . . . 0.0 110.786 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.492 ' O ' ' HB ' ' A' ' 60' ' ' VAL . 11.0 tttt -105.22 174.41 5.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.138 -0.976 . . . . 0.0 109.265 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.492 ' HB ' ' O ' ' A' ' 59' ' ' LYS . 32.8 t 71.02 -53.72 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.286 0 O-C-N 121.273 -0.892 . . . . 0.0 111.16 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.73 ' CA ' ' HA3' ' A' ' 55' ' ' GLY . 23.0 t -59.13 -69.62 0.19 Allowed 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.622 -1.298 . . . . 0.0 111.071 -178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -58.74 -36.4 74.27 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.179 -0.95 . . . . 0.0 110.572 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 11.4 ttpp -73.8 -63.74 1.15 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.316 -0.865 . . . . 0.0 110.082 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -52.1 -40.05 60.69 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.396 -0.815 . . . . 0.0 110.543 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.15 -51.86 67.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.203 -0.936 . . . . 0.0 109.24 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.84 -39.99 76.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.257 -0.902 . . . . 0.0 109.751 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 46.0 mt-10 -54.65 -52.14 63.23 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.235 -0.916 . . . . 0.0 109.375 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' NZ ' ' HG3' ' A' ' 72' ' ' GLU . 7.6 tptt -56.69 -43.93 80.96 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.372 -0.83 . . . . 0.0 109.265 178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.612 ' CE ' HG22 ' A' ' 46' ' ' VAL . 1.6 ttt -62.88 -54.99 30.16 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.514 -0.741 . . . . 0.0 110.215 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.544 ' CG ' HG23 ' A' ' 13' ' ' VAL . 50.3 mt -63.68 -50.08 70.64 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.074 -1.016 . . . . 0.0 110.712 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.8 t -45.69 -46.8 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 121.377 -0.827 . . . . 0.0 109.848 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' HG3' ' NZ ' ' A' ' 68' ' ' LYS . 1.2 mt-10 -82.27 -45.83 14.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.044 -1.035 . . . . 0.0 110.331 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 73' ' ' LEU . 70.2 mt -56.36 -28.62 59.64 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.059 -1.025 . . . . 0.0 110.242 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -87.4 -11.21 49.91 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.029 -1.045 . . . . 0.0 109.48 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -104.59 -24.18 13.02 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.402 -0.811 . . . . 0.0 109.953 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 CA--C 1.554 1.116 0 O-C-N 121.677 -0.639 . . . . 0.0 110.674 179.507 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.497 " H2'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.836 0 C5'-C4'-C3' 111.124 -2.917 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.497 " O4'" " H2'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.174 0 O4'-C1'-N19 111.206 3.006 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.481 " H5'" " O2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.917 0 C5'-C4'-C3' 111.095 -2.937 . 0.071 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.929 0 O4'-C1'-N19 111.087 2.887 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.028 0 O4'-C1'-N19 111.045 2.845 . 0.021 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.086 0 C5'-C4'-C3' 111.146 -2.903 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.906 0 C5'-C4'-C3' 111.238 -2.842 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.961 0 C5'-C4'-C3' 111.068 -2.955 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.974 0 C5'-C4'-C3' 111.27 -2.82 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.433 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.017 0 C5'-C4'-C3' 111.17 -2.886 . 0.203 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.554 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.136 0 O4'-C1'-N19 111.032 2.832 . 0.137 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.428 ' O2 ' " H2'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.091 0 C5'-C4'-C3' 111.039 -2.974 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.613 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.13 0 C5'-C4'-C3' 111.22 -2.853 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.569 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 C3'-C2'-C1' 104.609 3.455 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.41 " H2'" " O3'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.074 0 C5'-C4'-C3' 111.189 -2.874 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.569 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.821 0 C5'-C4'-C3' 111.152 -2.899 . 0.062 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.769 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.055 0 C5'-C4'-C3' 110.893 -3.071 . 0.64 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.769 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.076 0 C5'-C4'-C3' 111.176 -2.883 . 0.011 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.428 ' H21' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.037 0 C5'-C4'-C3' 110.875 -3.084 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.514 " H2'" ' N3 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.932 0 C5'-C4'-C3' 111.118 -2.921 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.405 ' N1 ' ' N3 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.018 0 C5'-C4'-C3' 111.189 -2.874 . 0.122 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.039 0 O4'-C1'-N19 111.165 2.965 . 0.285 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.123 0 C5'-C4'-C3' 111.35 -2.767 . 0.275 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.137 0 O4'-C1'-N19 111.042 2.842 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.039 0 C5'-C4'-C3' 111.323 -2.785 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.021 0 C5'-C4'-C3' 111.234 -2.844 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.083 0 O4'-C1'-N19 110.995 2.795 . 0.022 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.939 0 C5'-C4'-C3' 111.227 -2.848 . 0.147 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.826 0 C3'-C2'-C1' 104.495 3.328 . 0.031 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 O4'-C1'-N19 111.086 2.886 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.1 113.98 4.9 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 178.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 63.88 -160.65 0.3 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.365 -0.834 . . . . 0.0 109.318 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.25 -138.98 2.83 Favored Glycine 0 N--CA 1.502 3.065 0 O-C-N 120.456 -1.402 . . . . 0.0 111.194 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.46 ' CG ' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -158.83 -70.81 0.09 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.484 -1.009 . . . . 0.0 109.805 -179.032 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.46 ' N ' ' CG ' ' A' ' 5' ' ' ASP . 13.8 tttt -179.86 -59.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.905 -1.122 . . . . 0.0 109.775 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.488 ' C ' ' HD3' ' A' ' 9' ' ' PRO . 20.7 mmtm 44.22 63.89 1.49 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-O 121.538 0.685 . . . . 0.0 110.236 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.456 ' OG ' ' HG2' ' A' ' 6' ' ' LYS . 11.3 m -114.44 76.8 3.98 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.137 -0.977 . . . . 0.0 109.871 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.538 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 35.8 Cg_endo -77.85 -67.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.024 0 C-N-CA 122.367 2.045 . . . . 0.0 112.601 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.747 HG21 " O2'" ' B' ' 19' ' ' ' G' . 41.2 mm -117.51 -78.28 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.492 -1.38 . . . . 0.0 111.819 -178.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' ILE . 0.5 OUTLIER -37.43 -65.05 0.34 Allowed 'General case' 0 N--CA 1.508 2.443 0 O-C-N 121.332 -0.855 . . . . 0.0 111.218 -178.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -49.18 -39.64 30.17 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.358 -0.839 . . . . 0.0 110.626 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.669 HG22 HD11 ' A' ' 70' ' ' LEU . 36.2 t -63.87 -46.45 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 O-C-N 120.9 -1.125 . . . . 0.0 108.448 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.573 ' O ' HG22 ' A' ' 18' ' ' ILE . 15.6 m-70 -61.18 -50.3 73.73 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 6.3 mt-10 -52.21 -48.82 64.88 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 16' ' ' ILE . 15.0 mm -62.81 -38.49 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.207 -0.933 . . . . 0.0 109.17 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.34 -51.77 55.64 Favored Glycine 0 N--CA 1.497 2.715 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER -74.59 -39.68 47.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 O-C-N 121.229 -1.159 . . . . 0.0 109.248 179.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HB3' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -59.47 -28.45 67.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.017 -1.052 . . . . 0.0 110.196 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.555 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -105.15 -60.63 1.59 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.481 -0.762 . . . . 0.0 109.828 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.555 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.4 OUTLIER 154.97 -1.44 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.883 0 O-C-N 122.099 -0.376 . . . . 0.0 111.222 179.573 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.423 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 2.6 mtt -72.56 147.55 45.8 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.35 -1.469 . . . . 0.0 110.651 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.605 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 42.2 p -65.86 -57.94 6.76 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.48 -0.763 . . . . 0.0 110.931 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.587 ' HA ' HG22 ' A' ' 46' ' ' VAL . 51.8 t 66.23 87.89 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 CA-C-O 121.873 0.844 . . . . 0.0 109.812 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.606 ' HB2' HG22 ' A' ' 45' ' ' ILE . 6.6 m-70 -126.98 124.14 38.76 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 120.842 -1.161 . . . . 0.0 109.687 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 76.0 m-85 -112.96 132.44 55.35 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.318 -0.864 . . . . 0.0 110.025 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 6.9 tttm -148.76 124.31 10.38 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.087 -1.008 . . . . 0.0 110.183 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.737 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 2.4 p -75.62 153.75 6.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.801 -1.187 . . . . 0.0 110.432 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 43' ' ' ALA . 1.7 mt -113.97 -35.3 5.14 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.166 -0.959 . . . . 0.0 109.827 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.865 ' HB2' HG22 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -141.23 124.25 16.32 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.45 -0.781 . . . . 0.0 109.477 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.686 ' CG ' HG21 ' A' ' 28' ' ' VAL . 1.1 mt-10 -136.0 67.04 1.48 Allowed 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.783 ' HB2' ' HG3' ' A' ' 38' ' ' LYS . 1.9 mp0 -49.27 134.24 18.51 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.311 -0.868 . . . . 0.0 110.194 -179.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.14 -138.32 0.6 Allowed Glycine 0 N--CA 1.499 2.869 0 O-C-N 121.157 -0.964 . . . . 0.0 110.739 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.52 ' HG3' ' N4 ' ' B' ' 25' ' ' ' C' . 36.2 Cg_endo -78.46 148.0 23.11 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.461 2.107 . . . . 0.0 110.776 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.758 ' HB2' ' H41' ' B' ' 4' ' ' ' C' . . . 174.24 -78.88 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.402 -0.811 . . . . 0.0 109.756 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.654 ' HB2' ' N7 ' ' B' ' 3' ' ' ' A' . 0.6 OUTLIER -150.03 -76.15 0.15 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.253 -0.905 . . . . 0.0 109.41 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 7.5 tpt -125.14 -68.59 0.84 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.158 -0.964 . . . . 0.0 110.354 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.783 ' HG3' ' HB2' ' A' ' 32' ' ' GLU . 0.0 OUTLIER 52.46 -173.84 0.03 OUTLIER 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.967 0.413 . . . . 0.0 111.036 179.596 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.42 ' N ' ' CG ' ' A' ' 38' ' ' LYS . 53.7 m-80 -142.3 -171.01 3.3 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.622 -1.299 . . . . 0.0 110.538 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.625 ' CZ ' ' HE2' ' A' ' 38' ' ' LYS . 65.7 m-85 -142.97 110.33 5.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.226 -0.921 . . . . 0.0 109.441 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.865 HG22 ' HB2' ' A' ' 30' ' ' ARG . 21.5 tt -106.72 121.88 59.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 120.45 -1.406 . . . . 0.0 110.281 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.737 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 27.5 m -121.92 128.53 51.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.428 -0.795 . . . . 0.0 109.517 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.587 ' HB3' HD21 ' A' ' 29' ' ' LEU . . . -101.06 150.0 23.36 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.243 -0.911 . . . . 0.0 109.767 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 19.2 p -147.09 144.23 28.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.082 -1.011 . . . . 0.0 110.244 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.606 HG22 ' HB2' ' A' ' 25' ' ' HIS . 17.1 tt -128.69 144.57 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.328 -0.857 . . . . 0.0 110.105 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.587 HG22 ' HA ' ' A' ' 24' ' ' VAL . 61.3 t -134.89 104.86 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.115 -0.991 . . . . 0.0 109.521 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.48 -86.55 0.42 Allowed Glycine 0 N--CA 1.499 2.878 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -138.87 20.33 2.66 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.378 -1.072 . . . . 0.0 110.381 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.72 HD13 HD21 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -123.25 141.34 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.646 0 O-C-N 120.986 -1.071 . . . . 0.0 108.864 179.725 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.482 HG22 HG13 ' A' ' 45' ' ' ILE . 0.6 OUTLIER -123.25 146.93 27.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 121.261 -0.9 . . . . 0.0 109.797 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.594 HG21 ' HD3' ' A' ' 68' ' ' LYS . 1.2 m -148.01 124.61 11.08 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.503 -0.748 . . . . 0.0 109.413 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -88.43 159.05 18.17 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.362 -0.836 . . . . 0.0 110.918 -179.429 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.885 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -132.58 96.27 0.31 Allowed Glycine 0 N--CA 1.498 2.805 0 N-CA-C 109.043 -1.623 . . . . 0.0 109.043 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -85.84 30.77 0.64 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.44 -1.035 . . . . 0.0 111.259 -179.269 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -44.37 132.16 7.13 Favored Glycine 0 N--CA 1.507 3.393 0 O-C-N 120.863 -1.148 . . . . 0.0 110.364 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -68.87 -35.54 77.02 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.188 -1.184 . . . . 0.0 110.503 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -102.06 149.94 18.1 Favored Glycine 0 N--CA 1.498 2.805 0 N-CA-C 109.93 -1.268 . . . . 0.0 109.93 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.549 ' HE2' ' OE1' ' A' ' 31' ' ' GLU . 0.7 OUTLIER -48.97 -44.88 41.35 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.515 -0.991 . . . . 0.0 110.29 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' O ' ' HE2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -69.89 -6.23 31.35 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.669 -0.644 . . . . 0.0 111.283 -179.776 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.4 t -98.67 -46.69 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 O-C-N 120.858 -1.152 . . . . 0.0 109.076 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -63.34 -50.35 70.33 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.524 -0.735 . . . . 0.0 110.376 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.13 55.99 2.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.137 -0.977 . . . . 0.0 109.357 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' ' 59' ' ' LYS . 0.7 OUTLIER -179.77 -63.92 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -48.39 -38.36 19.32 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.442 -0.786 . . . . 0.0 110.168 179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.885 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -65.66 -39.59 91.52 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.118 -0.989 . . . . 0.0 109.452 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.569 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . . . -76.87 -57.0 4.1 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.378 -0.826 . . . . 0.0 110.239 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.768 ' O ' HG23 ' A' ' 71' ' ' VAL . 0.9 OUTLIER -50.16 -52.06 38.44 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.305 -0.872 . . . . 0.0 109.382 179.602 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.594 ' HD3' HG21 ' A' ' 51' ' ' THR . 1.9 tttm -53.53 -47.81 69.61 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.569 ' HG3' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -54.86 -49.23 71.64 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.449 -0.782 . . . . 0.0 109.556 178.774 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.669 HD11 HG22 ' A' ' 13' ' ' VAL . 2.2 mt -63.46 -35.07 79.22 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.715 -1.24 . . . . 0.0 108.977 178.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 67' ' ' GLU . 94.4 t -58.37 -55.02 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.388 -0.82 . . . . 0.0 109.149 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -67.83 -42.69 81.06 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.162 -0.961 . . . . 0.0 109.941 179.09 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 49' ' ' ILE . 76.4 mt -60.53 -30.67 69.89 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.015 -1.053 . . . . 0.0 110.743 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -81.42 6.61 14.01 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.896 -1.127 . . . . 0.0 110.063 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.21 4.32 6.38 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.081 -1.012 . . . . 0.0 110.99 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.159 -179.782 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.53 ' N3 ' " H2'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 C2'--O2' 1.434 1.591 0 C5'-C4'-C3' 111.045 -2.97 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.417 ' C2 ' ' C8 ' ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.611 1.846 0 C5'-C4'-C3' 111.033 -2.978 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.654 ' N7 ' ' HB2' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C4' 1.427 -2.147 0 O4'-C1'-N19 110.907 2.707 . 0.01 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.758 ' H41' ' HB2' ' A' ' 35' ' ' ALA . . . . . . . . 0 P--O5' 1.616 2.264 0 C5'-C4'-C3' 111.21 -2.86 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.121 0 O4'-C1'-N19 110.999 2.799 . 0.31 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.2 0 O4'-C1'-N19 111.073 2.873 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.056 0 O4'-C1'-N19 111.186 2.986 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.406 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.089 0 O4'-C1'-N19 111.02 2.82 . 0.122 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.314 0 C5'-C4'-C3' 111.091 -2.939 . 0.246 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.155 0 C5'-C4'-C3' 111.227 -2.848 . 0.081 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.693 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.03 -2.98 . 0.027 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.693 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.837 0 O4'-C1'-N19 111.049 2.849 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.568 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.164 0 O4'-C1'-N19 111.903 3.703 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.568 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 C3'-C2'-C1' 104.677 3.53 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 C5'-C4'-C3' 111.309 -2.794 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.521 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.259 0 O4'-C1'-N19 111.092 2.892 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.563 ' N7 ' ' HB3' ' A' ' 14' ' ' HIS . . . . . . . . 0 P--O5' 1.614 2.138 0 C5'-C4'-C3' 111.222 -2.852 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.483 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.618 2.47 0 O4'-C1'-N19 110.903 2.703 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.747 " O2'" HG21 ' A' ' 10' ' ' ILE . . . . . . . . 0 O4'--C4' 1.427 -2.183 0 C5'-C4'-C3' 110.923 -3.051 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.405 0 C3'-C2'-C1' 104.088 2.875 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.461 " H2'" ' C6 ' ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.898 0 C5'-C4'-C3' 110.956 -3.029 . 0.019 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.461 ' C6 ' " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.089 0 C5'-C4'-C3' 111.083 -2.945 . 0.37 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.848 0 C5'-C4'-C3' 111.312 -2.792 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.045 0 C5'-C4'-C3' 111.079 -2.947 . 0.05 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.52 ' N4 ' ' HG3' ' A' ' 34' ' ' PRO . . . . . . . . 0 P--O5' 1.612 1.942 0 C5'-C4'-C3' 111.127 -2.915 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.952 0 O4'-C1'-N19 111.166 2.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.671 " H2'" " O4'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.044 0 C5'-C4'-C3' 111.231 -2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.671 " O4'" " H2'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.067 0 C5'-C4'-C3' 111.251 -2.833 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.44 " O4'" " H2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.427 -2.139 0 O4'-C1'-N19 111.183 2.983 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.978 0 O4'-C1'-N19 111.179 2.979 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mmm . . . . . 0 N--CA 1.502 2.134 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.82 167.42 23.92 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.363 -176.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -149.6 125.51 10.55 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.474 -0.766 . . . . 0.0 109.601 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.58 -162.42 47.33 Favored Glycine 0 N--CA 1.502 3.057 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.439 ' OD2' ' NZ ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -147.01 154.99 41.88 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.563 -0.963 . . . . 0.0 109.148 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.478 ' HD3' ' OE1' ' A' ' 12' ' ' GLN . 0.0 OUTLIER 62.49 -164.56 0.25 Allowed 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.263 -0.898 . . . . 0.0 110.134 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 35.7 mmtt -156.74 -64.5 0.1 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.914 -1.116 . . . . 0.0 110.642 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.541 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 60.1 p -139.8 163.68 43.11 Favored Pre-proline 0 N--CA 1.496 1.866 0 O-C-N 121.105 -0.997 . . . . 0.0 110.396 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.541 ' HD2' ' HB2' ' A' ' 8' ' ' SER . 36.1 Cg_endo -77.79 -158.21 0.08 OUTLIER 'Trans proline' 0 C--N 1.315 -1.203 0 C-N-CA 122.304 2.003 . . . . 0.0 110.007 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' A' ' 9' ' ' PRO . 87.4 mt 69.57 -58.78 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.182 0 O-C-N 121.353 -0.842 . . . . 0.0 109.895 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.1 m -54.52 -68.35 0.19 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.276 -0.89 . . . . 0.0 109.501 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' OE1' ' HD3' ' A' ' 6' ' ' LYS . 6.8 mt-30 -54.18 -25.93 25.29 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.257 -0.902 . . . . 0.0 109.701 179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.833 HG22 HD21 ' A' ' 70' ' ' LEU . 40.9 t -69.41 -39.61 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.895 -1.128 . . . . 0.0 108.086 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.6 ' CD2' HG11 ' A' ' 24' ' ' VAL . 6.7 m-70 -65.56 -44.83 85.57 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 15.5 mt-10 -61.99 -59.31 5.29 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.189 0.518 . . . . 0.0 110.106 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.776 HD13 ' CD1' ' A' ' 73' ' ' LEU . 9.7 tt -63.45 -37.64 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.261 -0.899 . . . . 0.0 109.634 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.33 -57.37 20.04 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.429 HG13 ' C8 ' ' B' ' 17' ' ' ' G' . 32.3 mm -59.14 -46.75 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.285 -1.126 . . . . 0.0 108.925 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HE2' " O4'" ' B' ' 15' ' ' ' U' . 3.8 tttm -54.35 -32.06 55.92 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.481 -0.762 . . . . 0.0 110.646 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -105.46 23.19 14.18 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.071 -1.018 . . . . 0.0 110.295 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 54.96 36.58 27.17 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.017 -1.052 . . . . 0.0 109.729 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.652 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 9.1 mtt -113.46 109.95 19.51 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.144 -0.972 . . . . 0.0 110.067 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.2 m -70.3 104.95 2.82 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.964 -1.085 . . . . 0.0 109.226 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.6 HG11 ' CD2' ' A' ' 14' ' ' HIS . 7.4 p -68.21 98.86 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 CA-C-O 121.725 0.774 . . . . 0.0 110.28 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.872 ' HB2' HG22 ' A' ' 45' ' ' ILE . 29.8 m-70 -103.25 97.47 7.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.986 -1.072 . . . . 0.0 110.055 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -90.03 119.61 30.52 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.305 -0.872 . . . . 0.0 109.379 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 22.7 tttm -149.8 139.47 21.69 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.864 -1.147 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 93.6 t -80.31 148.0 6.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.203 -0.936 . . . . 0.0 109.005 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 43' ' ' ALA . 9.2 mt -81.03 -40.55 24.05 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.131 -0.98 . . . . 0.0 108.767 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.83 116.69 2.87 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.785 -0.572 . . . . 0.0 109.548 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.515 ' HA ' ' HD2' ' A' ' 40' ' ' PHE . 5.4 pt-20 -118.55 -165.45 1.12 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.522 -0.736 . . . . 0.0 110.091 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.668 ' HB3' ' HB3' ' A' ' 36' ' ' HIS . 0.6 OUTLIER -103.12 118.78 37.57 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.127 -0.983 . . . . 0.0 110.214 -179.683 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 65.0 -156.44 47.55 Favored Glycine 0 N--CA 1.501 3.003 0 N-CA-C 110.171 -1.171 . . . . 0.0 110.171 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -78.81 -34.0 1.43 Allowed 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 122.36 2.04 . . . . 0.0 110.904 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.587 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . . . -160.64 38.27 0.16 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.058 -1.026 . . . . 0.0 111.136 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.668 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 16.7 t-160 -78.64 75.96 5.14 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.603 -1.311 . . . . 0.0 109.113 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.414 ' C ' HD22 ' A' ' 39' ' ' ASN . 59.0 mtm 59.6 86.94 0.09 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.382 -0.824 . . . . 0.0 110.018 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.587 ' HE2' ' HA ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -57.81 107.04 0.41 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.893 -1.129 . . . . 0.0 109.994 179.533 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.451 ' OD1' ' CB ' ' A' ' 61' ' ' SER . 8.7 m-80 -144.76 -161.83 1.37 Allowed 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.41 -0.806 . . . . 0.0 109.912 -179.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.515 ' HD2' ' HA ' ' A' ' 31' ' ' GLU . 4.4 m-85 80.94 -79.01 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.859 -0.525 . . . . 0.0 111.608 177.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.487 HG21 HD12 ' A' ' 29' ' ' LEU . 3.2 mp -142.28 107.94 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 120.761 -1.212 . . . . 0.0 110.707 -178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.506 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 1.7 m -104.45 121.7 43.98 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.766 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -107.66 135.28 49.36 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.383 -0.823 . . . . 0.0 109.869 -179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.49 ' HB3' ' HG3' ' A' ' 69' ' ' MET . 42.5 t -120.99 121.03 37.11 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.234 -0.916 . . . . 0.0 109.531 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.872 HG22 ' HB2' ' A' ' 25' ' ' HIS . 11.5 tt -108.37 145.01 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.138 -0.976 . . . . 0.0 109.911 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.652 ' HB ' ' HB3' ' A' ' 22' ' ' MET . 2.9 m -134.17 111.01 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.56 -0.713 . . . . 0.0 109.483 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.49 -82.35 0.28 Allowed Glycine 0 N--CA 1.5 2.948 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -142.82 16.98 1.97 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.229 -1.159 . . . . 0.0 111.014 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -135.04 138.78 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.931 -1.106 . . . . 0.0 109.042 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.663 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 2.6 p -123.78 156.76 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 120.84 -1.163 . . . . 0.0 111.056 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.432 ' N ' ' CG2' ' A' ' 50' ' ' VAL . 8.4 m -125.21 98.66 5.74 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 8.0 mt-10 -83.93 141.24 31.4 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.267 -0.896 . . . . 0.0 109.441 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 54' ' ' GLU . . . 176.82 -124.87 0.98 Allowed Glycine 0 N--CA 1.497 2.707 0 C-N-CA 119.502 -1.332 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.574 ' HA ' ' HG3' ' A' ' 64' ' ' ARG . 0.2 OUTLIER 82.73 -148.91 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -179.032 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.23 -115.71 0.35 Allowed Glycine 0 N--CA 1.499 2.892 0 C-N-CA 119.52 -1.324 . . . . 0.0 111.167 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' O ' HG23 ' A' ' 60' ' ' VAL . 3.2 m120 -132.02 -170.23 2.37 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.985 -1.303 . . . . 0.0 109.829 -179.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.429 ' HA2' ' OD1' ' A' ' 39' ' ' ASN . . . -85.51 -149.77 12.65 Favored Glycine 0 N--CA 1.499 2.846 0 N-CA-C 110.303 -1.119 . . . . 0.0 110.303 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 57' ' ' GLY . 11.1 tptp 71.73 -56.43 0.64 Allowed 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.472 -1.017 . . . . 0.0 110.602 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' C ' HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -155.68 44.27 0.45 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.311 -0.868 . . . . 0.0 110.084 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.952 HG12 ' HB2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -163.11 -168.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.336 0 O-C-N 121.378 -0.826 . . . . 0.0 109.144 -179.369 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.592 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 0.3 OUTLIER 77.35 121.35 0.05 OUTLIER 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.867 0.841 . . . . 0.0 110.165 179.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 61' ' ' SER . 2.8 ttpm? 77.32 29.26 0.57 Allowed 'General case' 0 N--CA 1.503 2.21 0 CA-C-O 122.251 1.024 . . . . 0.0 108.697 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 14.0 tttm -167.4 -60.94 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -179.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.952 ' HB2' HG12 ' A' ' 60' ' ' VAL . 15.7 tpt180 -44.98 -49.99 10.89 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.224 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 54' ' ' GLU . . . -69.62 -48.63 59.35 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.949 -1.094 . . . . 0.0 110.47 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 9' ' ' PRO . . . -57.82 -43.63 85.88 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.167 -0.958 . . . . 0.0 110.481 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 63' ' ' LYS . 49.2 mt-10 -58.54 -50.85 72.27 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.591 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.31 -37.52 77.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.444 -0.785 . . . . 0.0 109.465 179.139 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.526 ' CE ' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -64.23 -44.16 92.73 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.993 -1.067 . . . . 0.0 109.399 179.407 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.833 HD21 HG22 ' A' ' 13' ' ' VAL . 32.5 mt -54.77 -53.34 56.33 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.303 -0.873 . . . . 0.0 110.248 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 68' ' ' LYS . 9.0 m -61.1 -28.96 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 120.952 -1.092 . . . . 0.0 110.026 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.627 ' HA ' ' NZ ' ' A' ' 75' ' ' LYS . 5.3 mm-40 -78.35 -49.33 13.78 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.679 -1.263 . . . . 0.0 110.176 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.776 ' CD1' HD13 ' A' ' 16' ' ' ILE . 1.5 pp -70.87 -22.11 62.33 Favored 'General case' 0 N--CA 1.505 2.284 0 O-C-N 120.978 -1.076 . . . . 0.0 110.901 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.69 -9.99 59.06 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 120.941 -1.099 . . . . 0.0 110.824 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.627 ' NZ ' ' HA ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -90.24 -24.88 20.83 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.978 -1.076 . . . . 0.0 110.135 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 O-C-N 121.479 -0.763 . . . . 0.0 110.302 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.849 " H4'" ' OP1' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.251 0 C5'-C4'-C3' 111.037 -2.975 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.849 ' OP1' " H4'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.688 0 P-O3'-C3' 123.615 3.263 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.293 0 O4'-C1'-N19 111.017 2.817 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.271 0 O4'-C1'-N19 111.181 2.981 . 0.494 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 C5'-C4'-C3' 111.299 -2.801 . 0.116 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 0 C5'-C4'-C3' 111.36 -2.76 . 0.027 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.448 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.051 0 C5'-C4'-C3' 111.251 -2.833 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.47 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.024 0 O4'-C1'-N19 111.071 2.871 . 0.152 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.177 0 C5'-C4'-C3' 111.303 -2.798 . 0.145 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.131 0 O4'-C1'-N19 111.056 2.856 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.499 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.162 0 O4'-C1'-N19 111.293 3.093 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.496 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.955 0 C5'-C4'-C3' 111.13 -2.914 . 0.275 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.551 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.053 0 C5'-C4'-C3' 111.084 -2.944 . 0.209 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.449 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.452 0 C3'-C2'-C1' 104.484 3.316 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.484 " O4'" ' HE2' ' A' ' 19' ' ' LYS . . . . . . . . 0 P--O5' 1.612 1.856 0 C5'-C4'-C3' 111.417 -2.722 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.449 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.89 0 C5'-C4'-C3' 111.115 -2.923 . 0.704 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.626 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.997 0 C5'-C4'-C3' 111.021 -2.986 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.661 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.246 0 C5'-C4'-C3' 111.336 -2.776 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.661 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.067 0 C5'-C4'-C3' 111.232 -2.845 . 0.233 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.443 " H2'" ' N3 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.082 0 C5'-C4'-C3' 111.001 -2.999 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.891 0 C5'-C4'-C3' 111.131 -2.913 . 0.087 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.519 " O2'" ' H8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.424 -2.418 0 C5'-C4'-C3' 111.105 -2.93 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.519 ' H8 ' " O2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.001 0 C5'-C4'-C3' 111.06 -2.96 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.153 0 C5'-C4'-C3' 111.272 -2.819 . 0.182 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.07 0 C5'-C4'-C3' 111.271 -2.82 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.073 0 O4'-C1'-N19 111.084 2.884 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.076 0 O4'-C1'-N19 111.186 2.986 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.067 0 O4'-C1'-N19 110.949 2.749 . 0.216 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.511 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.205 0 C5'-C4'-C3' 111.253 -2.831 . 0.165 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.583 " H1'" ' NE2' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C4' 1.426 -2.288 0 C5'-C4'-C3' 111.203 -2.865 . 0.479 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.093 0 CA-C-O 121.39 0.614 . . . . 0.0 109.568 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.49 162.32 19.93 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 121.199 0.523 . . . . 0.0 109.992 -179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -135.94 159.46 41.63 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.479 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . . . -179.49 -110.35 0.28 Allowed Glycine 0 N--CA 1.494 2.548 0 N-CA-C 108.821 -1.712 . . . . 0.0 108.821 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.634 ' HB3' ' HE3' ' A' ' 6' ' ' LYS . 18.8 t70 53.96 178.43 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.895 -0.768 . . . . 0.0 109.883 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.634 ' HE3' ' HB3' ' A' ' 5' ' ' ASP . 0.4 OUTLIER 58.53 53.1 6.39 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.416 -1.427 . . . . 0.0 109.519 -179.725 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.4 mttt -47.46 95.8 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.505 0 O-C-N 121.275 -0.891 . . . . 0.0 110.82 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 p -134.49 85.04 38.53 Favored Pre-proline 0 N--CA 1.494 1.732 0 O-C-N 121.456 -0.778 . . . . 0.0 109.456 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.434 ' O ' ' HB1' ' A' ' 66' ' ' ALA . 36.5 Cg_endo -77.01 -14.54 16.89 Favored 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 122.733 2.289 . . . . 0.0 112.182 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 89.9 mt -130.16 -55.72 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.895 -1.128 . . . . 0.0 110.143 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.68 -69.04 0.15 Allowed 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.599 -0.688 . . . . 0.0 110.489 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -52.15 -37.55 54.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.317 -0.864 . . . . 0.0 110.594 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.998 HG22 HD21 ' A' ' 70' ' ' LEU . 58.1 t -58.8 -40.65 80.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 120.611 -1.306 . . . . 0.0 108.08 178.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -70.02 -49.15 54.26 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' HA ' " O2'" ' B' ' 15' ' ' ' U' . 5.4 mt-10 -55.78 -43.19 76.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.602 -0.686 . . . . 0.0 110.672 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -81.24 -39.63 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.837 -1.164 . . . . 0.0 109.101 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.516 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -57.4 -55.5 30.1 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.959 -1.257 . . . . 0.0 109.959 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.94 HD11 ' C8 ' ' B' ' 17' ' ' ' G' . 79.6 mt -56.89 -50.01 77.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 O-C-N 121.373 -1.075 . . . . 0.0 109.419 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -37.17 83.67 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.286 -0.884 . . . . 0.0 110.628 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -87.34 20.03 2.99 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.88 -1.138 . . . . 0.0 110.921 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.2 34.86 24.54 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.069 -1.019 . . . . 0.0 110.441 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.471 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 14.1 mtp -100.48 138.25 37.79 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.811 -1.181 . . . . 0.0 109.79 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.7 p -57.32 -51.24 70.19 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.442 -0.786 . . . . 0.0 110.46 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.516 HG21 ' HA3' ' A' ' 17' ' ' GLY . 40.2 t 62.95 72.83 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-O 121.729 0.776 . . . . 0.0 109.326 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.647 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 4.6 m-70 -119.77 120.74 37.43 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.776 -1.202 . . . . 0.0 109.831 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -107.1 125.16 50.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.484 -0.76 . . . . 0.0 109.294 179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -142.81 129.63 20.5 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.136 -0.977 . . . . 0.0 109.874 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.831 HG11 ' HG2' ' A' ' 31' ' ' GLU . 34.8 t -87.08 143.45 11.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.985 -1.072 . . . . 0.0 108.819 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.585 HD12 HG12 ' A' ' 41' ' ' ILE . 3.2 mt -91.39 -37.27 13.32 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.242 -0.911 . . . . 0.0 109.646 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.44 128.37 8.83 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.518 -0.738 . . . . 0.0 109.822 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.831 ' HG2' HG11 ' A' ' 28' ' ' VAL . 1.7 mt-10 -122.36 115.73 22.79 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.58 -162.39 0.22 Allowed 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -178.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -161.22 -124.97 0.75 Allowed Glycine 0 N--CA 1.498 2.831 0 O-C-N 120.61 -1.306 . . . . 0.0 109.998 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HG2' ' NE2' ' A' ' 36' ' ' HIS . 35.4 Cg_endo -77.82 -61.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.309 2.006 . . . . 0.0 110.515 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -172.87 40.51 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.317 -0.864 . . . . 0.0 110.044 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.414 ' NE2' ' HG2' ' A' ' 34' ' ' PRO . 5.3 p-80 176.66 39.91 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.171 -0.956 . . . . 0.0 110.455 -179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.38 -54.68 2.71 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.903 -1.123 . . . . 0.0 109.834 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' CE ' " H4'" ' B' ' 3' ' ' ' A' . 8.8 ttmt 54.84 25.18 6.4 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.615 -0.678 . . . . 0.0 111.267 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -126.28 145.55 50.37 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.141 -0.974 . . . . 0.0 109.399 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 61' ' ' SER . 65.2 m-85 -135.19 135.68 41.2 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.185 -0.947 . . . . 0.0 110.004 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.585 HG12 HD12 ' A' ' 29' ' ' LEU . 1.6 tp -114.11 98.77 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.009 -1.057 . . . . 0.0 109.901 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.553 HG21 ' HA ' ' A' ' 62' ' ' LYS . 12.6 m -87.83 120.24 28.95 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.263 -0.898 . . . . 0.0 110.515 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.536 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -103.02 140.94 36.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 108.555 178.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.1 p -136.64 135.72 38.53 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.794 -1.192 . . . . 0.0 110.337 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.788 ' HB ' HG13 ' A' ' 50' ' ' VAL . 17.3 tt -123.01 133.83 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.182 -0.949 . . . . 0.0 109.554 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 38.7 t -129.44 102.55 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.167 -0.958 . . . . 0.0 109.722 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.33 -110.83 3.47 Favored Glycine 0 N--CA 1.498 2.828 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 m -109.67 20.36 18.2 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.393 -1.063 . . . . 0.0 110.685 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 91.9 mt -127.29 134.78 65.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 120.882 -1.136 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.788 HG13 ' HB ' ' A' ' 45' ' ' ILE . 1.1 t -122.94 145.29 30.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.165 -0.959 . . . . 0.0 109.248 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.9 m -141.67 135.39 29.84 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.473 -0.767 . . . . 0.0 110.121 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -100.16 142.95 30.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.352 -0.842 . . . . 0.0 109.584 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -126.17 90.16 0.37 Allowed Glycine 0 N--CA 1.497 2.729 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -68.88 74.4 0.29 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.509 -0.995 . . . . 0.0 110.408 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.426 ' HA2' ' HB ' ' A' ' 60' ' ' VAL . . . -67.45 77.39 0.19 Allowed Glycine 0 N--CA 1.499 2.862 0 N-CA-C 109.16 -1.576 . . . . 0.0 109.16 179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 54' ' ' GLU . 10.3 m-80 -58.41 -54.18 49.88 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.534 -0.98 . . . . 0.0 110.515 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.538 ' O ' ' HB2' ' A' ' 58' ' ' LYS . . . -174.99 176.97 47.17 Favored Glycine 0 N--CA 1.5 2.947 0 C-N-CA 119.888 -1.149 . . . . 0.0 110.541 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 22.8 mttp 71.65 64.22 0.15 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.941 -0.741 . . . . 0.0 110.965 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.65 53.2 2.08 Favored 'General case' 0 N--CA 1.507 2.404 0 O-C-N 121.412 -0.805 . . . . 0.0 111.852 178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.566 ' O ' ' HB3' ' A' ' 61' ' ' SER . 16.1 m -139.66 179.21 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.09 0 O-C-N 120.637 -1.289 . . . . 0.0 110.852 179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.566 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 46.0 t 83.61 118.98 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.553 ' HA ' HG21 ' A' ' 42' ' ' THR . 21.2 mttm 80.1 -48.3 0.34 Allowed 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 -178.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.405 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 36.4 tttm -87.35 -56.62 3.28 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.136 -0.977 . . . . 0.0 109.171 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -47.61 -45.53 27.68 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.714 -0.616 . . . . 0.0 111.579 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.481 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -64.41 -39.21 93.41 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.161 -0.962 . . . . 0.0 110.697 -178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 9' ' ' PRO . . . -71.45 -49.16 44.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.27 -0.894 . . . . 0.0 109.914 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 34.0 mt-10 -49.78 -54.18 20.65 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.645 -0.659 . . . . 0.0 110.001 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.572 ' O ' ' HG2' ' A' ' 72' ' ' GLU . 2.9 tttp -56.8 -45.94 81.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.526 -0.734 . . . . 0.0 109.31 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.1 tpp -49.37 -50.74 38.77 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.036 -1.04 . . . . 0.0 109.789 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.998 HD21 HG22 ' A' ' 13' ' ' VAL . 64.3 mt -66.14 -40.63 90.76 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.14 -0.975 . . . . 0.0 109.847 179.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.95 -45.74 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.377 -0.827 . . . . 0.0 110.345 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 68' ' ' LYS . 1.6 mm-40 -72.57 -47.52 47.41 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.232 -0.917 . . . . 0.0 109.296 179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 73' ' ' LEU . 59.6 mt -58.25 -35.5 71.83 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.952 -1.093 . . . . 0.0 110.314 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -81.23 -15.52 55.39 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.919 -1.113 . . . . 0.0 109.887 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HE3' ' HB3' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -98.59 -35.53 10.19 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.063 -1.023 . . . . 0.0 109.93 179.492 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 117.684 -1.15 . . . . 0.0 109.992 -179.492 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.984 0 O4'-C1'-N19 110.932 2.732 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.141 0 C5'-C4'-C3' 111.054 -2.964 . 0.023 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.408 " H4'" ' CE ' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.611 1.847 0 O4'-C1'-N19 111.315 3.115 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.094 0 C5'-C4'-C3' 111.367 -2.755 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.014 0 O4'-C1'-N19 111.013 2.813 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.917 0 O4'-C1'-N19 111.008 2.808 . 0.281 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.511 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.925 0 O4'-C1'-N19 110.947 2.747 . 0.23 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.511 ' C6 ' " H2'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.114 0 C5'-C4'-C3' 111.32 -2.787 . 0.095 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.039 0 O4'-C1'-N19 110.896 2.696 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.083 0 C5'-C4'-C3' 111.107 -2.929 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.127 0 O4'-C1'-N19 111.035 2.835 . 0.133 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.476 " H2'" ' C6 ' ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.99 0 C5'-C4'-C3' 111.189 -2.874 . 0.113 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.529 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.974 0 C5'-C4'-C3' 111.149 -2.901 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.447 " H2'" ' C5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.727 0 C3'-C2'-C1' 104.587 3.43 . 0.028 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.474 " O2'" ' HA ' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.612 1.94 0 C5'-C4'-C3' 111.346 -2.769 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.447 ' C5 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.143 0 C5'-C4'-C3' 111.436 -2.71 . 0.456 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.94 ' C8 ' HD11 ' A' ' 18' ' ' ILE . . . . . . . . 0 P--O5' 1.614 2.053 0 O4'-C1'-N19 111.061 2.861 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.409 " H4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.139 0 C5'-C4'-C3' 111.175 -2.883 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.408 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.059 0 C5'-C4'-C3' 110.853 -3.098 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.014 0 C5'-C4'-C3' 111.028 -2.981 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.958 0 C5'-C4'-C3' 111.321 -2.786 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.02 0 C5'-C4'-C3' 111.302 -2.799 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.904 0 C5'-C4'-C3' 111.043 -2.971 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.881 0 O4'-C1'-N19 111.179 2.979 . 0.117 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.07 0 C5'-C4'-C3' 111.318 -2.788 . 0.14 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.153 0 O4'-C1'-N19 111.034 2.834 . 0.039 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.503 " O2'" " H5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.082 0 C5'-C4'-C3' 111.128 -2.914 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.503 " H5'" " O2'" ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.885 0 C5'-C4'-C3' 111.051 -2.966 . 0.136 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.009 0 C5'-C4'-C3' 111.001 -3.0 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.326 0 O4'-C1'-N19 111.273 3.073 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ttp . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -133.8 -65.81 0.66 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.502 -0.748 . . . . 0.0 110.121 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.2 118.87 10.53 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.386 -0.821 . . . . 0.0 109.514 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.65 174.05 44.52 Favored Glycine 0 N--CA 1.494 2.549 0 C-N-CA 119.503 -1.332 . . . . 0.0 110.986 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.7 p-10 -106.36 -52.42 2.79 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 121.899 0.857 . . . . 0.0 110.016 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.32 143.67 34.96 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 122.087 0.946 . . . . 0.0 111.397 -178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.639 ' HE3' " O2'" ' B' ' 19' ' ' ' G' . 2.0 mmtm -93.19 66.49 4.06 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.716 0.77 . . . . 0.0 109.191 179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.62 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 29.7 m -55.81 -48.33 96.83 Favored Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.252 -0.905 . . . . 0.0 111.01 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.62 ' HD3' ' HB2' ' A' ' 8' ' ' SER . 34.8 Cg_endo -75.74 145.1 28.63 Favored 'Trans proline' 0 C--N 1.318 -1.038 0 C-N-CA 121.656 1.57 . . . . 0.0 110.714 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.521 HG13 ' HB2' ' A' ' 66' ' ' ALA . 3.8 mt 69.67 -60.58 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.737 -0.602 . . . . 0.0 110.209 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.527 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -63.28 -74.95 0.09 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.541 -0.725 . . . . 0.0 110.091 -179.524 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 8' ' ' SER . 3.2 mt-30 -50.5 -35.93 31.55 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.997 -1.064 . . . . 0.0 109.62 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.103 HG22 HD21 ' A' ' 70' ' ' LEU . 98.0 t -62.21 -46.2 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.264 -0.897 . . . . 0.0 108.844 178.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -65.72 -39.7 91.45 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HG3' ' N2 ' ' B' ' 17' ' ' ' G' . 1.2 mt-10 -61.03 -52.35 65.33 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.885 -0.509 . . . . 0.0 110.643 179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' HA ' ' HB3' ' A' ' 19' ' ' LYS . 1.4 pp -76.3 -32.25 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.691 -1.255 . . . . 0.0 109.955 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.584 ' O ' ' HB3' ' A' ' 22' ' ' MET . . . -64.33 -52.17 46.14 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 107.617 -2.193 . . . . 0.0 107.617 178.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 18' ' ' ILE . 18.0 mt -93.87 51.78 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -86.41 101.72 13.39 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.011 -1.68 . . . . 0.0 111.76 -177.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 43.1 mtt85 40.25 39.12 0.62 Allowed 'General case' 0 N--CA 1.502 2.138 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.668 178.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 20' ' ' ARG . 1.2 t-20 166.32 -67.94 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.514 0 O-C-N 120.891 -1.131 . . . . 0.0 111.393 179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.584 ' HB3' ' O ' ' A' ' 17' ' ' GLY . 3.6 mtm -58.02 165.37 1.89 Allowed 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.785 0.803 . . . . 0.0 111.105 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -123.66 151.57 42.93 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.257 -0.902 . . . . 0.0 109.512 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 46' ' ' VAL . 69.4 t -131.4 124.76 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.329 -0.857 . . . . 0.0 109.578 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.76 ' HB2' HG22 ' A' ' 45' ' ' ILE . 75.8 m-70 -122.92 125.41 45.27 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.267 -0.896 . . . . 0.0 109.617 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.404 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 4.7 m-85 -123.39 108.07 12.31 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.377 -0.827 . . . . 0.0 109.8 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HE3' ' HG3' ' A' ' 32' ' ' GLU . 4.7 tttp -132.15 135.37 46.33 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.098 -1.001 . . . . 0.0 110.184 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.626 HG21 ' HG2' ' A' ' 38' ' ' LYS . 3.5 t -76.21 142.07 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.379 -0.825 . . . . 0.0 109.084 179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.711 HD21 ' CB ' ' A' ' 43' ' ' ALA . 7.7 mt -86.18 -35.32 20.17 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.049 -1.032 . . . . 0.0 108.539 179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HB2' ' HB2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -103.83 133.09 49.4 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.616 -0.678 . . . . 0.0 109.888 179.678 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.676 ' HG2' ' HB2' ' A' ' 37' ' ' MET . 0.3 OUTLIER 70.51 -76.31 0.06 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.56 -0.713 . . . . 0.0 111.36 179.245 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.616 ' HG3' ' HE3' ' A' ' 27' ' ' LYS . 0.7 OUTLIER 61.11 -153.28 0.37 Allowed 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.179 -0.951 . . . . 0.0 109.826 -179.291 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . . . 81.28 170.43 43.61 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 120.816 -1.177 . . . . 0.0 110.189 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -80.2 -90.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.613 2.209 . . . . 0.0 110.575 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.704 ' HB1' ' C2 ' ' B' ' 3' ' ' ' A' . . . -84.04 70.9 10.56 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.135 -0.978 . . . . 0.0 109.584 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.32 -170.7 2.87 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.324 -0.86 . . . . 0.0 109.567 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.676 ' HB2' ' HG2' ' A' ' 31' ' ' GLU . 0.1 OUTLIER -57.68 -37.65 73.82 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.774 -1.204 . . . . 0.0 110.201 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.626 ' HG2' HG21 ' A' ' 28' ' ' VAL . 18.8 tttp 33.74 72.07 0.09 Allowed 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.641 -0.662 . . . . 0.0 112.132 178.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.42 ' O ' ' CB ' ' A' ' 40' ' ' PHE . 8.2 m-80 -157.68 -160.41 0.92 Allowed 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.194 -0.941 . . . . 0.0 109.783 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ASN . 24.7 m-85 79.86 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.592 -0.692 . . . . 0.0 111.634 178.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.1 mp -137.45 130.5 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.593 -1.317 . . . . 0.0 110.494 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.671 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -123.1 133.27 54.3 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.62 -0.675 . . . . 0.0 109.436 179.369 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.711 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -105.5 120.11 40.81 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 20.5 p -120.92 149.37 42.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.059 -1.026 . . . . 0.0 110.882 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.76 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.9 tt -131.82 142.24 43.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.188 -0.945 . . . . 0.0 109.806 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.802 HG22 HG22 ' A' ' 24' ' ' VAL . 95.8 t -135.4 113.59 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.531 -0.73 . . . . 0.0 109.24 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.527 ' HA3' ' SD ' ' A' ' 22' ' ' MET . . . 59.6 -99.74 0.16 Allowed Glycine 0 N--CA 1.502 3.04 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.3 m -122.7 23.96 9.31 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.199 -1.177 . . . . 0.0 110.635 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 90.2 mt -130.26 137.16 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 120.934 -1.103 . . . . 0.0 109.515 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.41 146.66 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.182 -0.949 . . . . 0.0 108.894 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.64 HG21 ' CA ' ' A' ' 69' ' ' MET . 27.3 m -146.2 125.08 12.68 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.401 -0.812 . . . . 0.0 110.273 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HG2' ' HA ' ' A' ' 43' ' ' ALA . 22.0 mt-10 -111.1 151.02 28.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.967 -1.083 . . . . 0.0 109.721 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 54' ' ' GLU . . . -174.81 -110.85 0.26 Allowed Glycine 0 N--CA 1.5 2.901 0 N-CA-C 110.131 -1.188 . . . . 0.0 110.131 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.671 ' HB2' ' HB ' ' A' ' 42' ' ' THR . 1.1 tp10 85.72 -82.9 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.402 0 O-C-N 122.109 -0.642 . . . . 0.0 109.921 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 114.79 166.87 15.42 Favored Glycine 0 N--CA 1.503 3.141 0 O-C-N 120.789 -1.194 . . . . 0.0 110.213 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -106.61 72.66 0.92 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.946 -1.326 . . . . 0.0 110.043 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 178.26 134.85 2.16 Favored Glycine 0 N--CA 1.501 3.002 0 N-CA-C 109.309 -1.517 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -37.52 6.8 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.073 -1.251 . . . . 0.0 111.505 -179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -72.71 -32.11 65.49 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.258 -0.901 . . . . 0.0 110.562 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.755 HG12 ' HB2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -100.0 116.32 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.089 0 O-C-N 121.039 -1.038 . . . . 0.0 109.46 179.219 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.649 ' HA ' ' HG3' ' A' ' 54' ' ' GLU . 69.5 p -176.93 -104.74 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 10' ' ' ILE . 37.8 mmtt -53.37 -36.78 61.77 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.007 -1.058 . . . . 0.0 109.071 179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 13.5 mtpt -67.76 -56.14 10.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.578 -0.702 . . . . 0.0 109.108 178.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.755 ' HB2' HG12 ' A' ' 60' ' ' VAL . 8.7 ttt-85 -63.48 -41.21 98.59 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.394 -0.816 . . . . 0.0 110.615 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.31 -48.58 75.09 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.045 -1.034 . . . . 0.0 109.363 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.521 ' HB2' HG13 ' A' ' 10' ' ' ILE . . . -66.82 -50.89 61.16 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.347 -0.846 . . . . 0.0 109.762 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -56.02 -48.93 75.02 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.398 -0.814 . . . . 0.0 109.284 179.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 6.4 tmtt? -52.73 -42.72 65.15 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.303 -0.873 . . . . 0.0 109.515 179.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.64 ' CA ' HG21 ' A' ' 51' ' ' THR . 3.8 ttt -71.66 -38.33 70.69 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.852 -1.155 . . . . 0.0 109.152 178.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.103 HD21 HG22 ' A' ' 13' ' ' VAL . 24.5 mt -59.67 -50.07 75.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.143 -0.973 . . . . 0.0 108.956 179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.455 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 25.2 m -66.42 -22.76 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 120.934 -1.104 . . . . 0.0 110.214 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -78.73 -53.96 6.59 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.481 HD11 ' HG2' ' A' ' 69' ' ' MET . 20.6 mt -62.81 -32.4 73.58 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.68 -0.637 . . . . 0.0 110.73 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -77.77 11.76 2.0 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.826 -1.171 . . . . 0.0 111.245 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 71' ' ' VAL . 0.8 OUTLIER -127.77 -7.19 5.6 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.747 -1.221 . . . . 0.0 111.629 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.0 110.07 -179.643 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.434 1.631 0 O4'-C1'-N19 111.237 3.037 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.077 0 C5'-C4'-C3' 111.006 -2.996 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.704 ' C2 ' ' HB1' ' A' ' 35' ' ' ALA . . . . . . . . 0 O4'--C1' 1.438 1.988 0 C5'-C4'-C3' 111.073 -2.951 . 0.206 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.529 " H1'" ' HB2' ' A' ' 35' ' ' ALA . . . . . . . . 0 O4'--C4' 1.427 -2.2 0 O4'-C1'-N19 111.101 2.901 . 0.379 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.279 0 O4'-C1'-N19 111.041 2.841 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.228 0 O4'-C1'-N19 111.029 2.829 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.437 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.066 0 O4'-C1'-N19 111.072 2.872 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.437 ' C6 ' " H2'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.256 0 O4'-C1'-N19 111.263 3.063 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.986 0 O4'-C1'-N19 110.925 2.725 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.142 0 O4'-C1'-N19 110.955 2.755 . 0.282 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.574 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.164 0 C5'-C4'-C3' 111.213 -2.858 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.574 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.017 0 C5'-C4'-C3' 111.061 -2.96 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.48 " H2'" " O4'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.932 0 O4'-C1'-N19 111.809 3.609 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.534 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.618 0 C3'-C2'-C1' 104.427 3.253 . 0.194 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 O4'-C1'-N19 111.142 2.942 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.534 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.948 0 C5'-C4'-C3' 111.049 -2.967 . 0.424 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.764 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.048 0 O4'-C1'-N19 111.293 3.093 . 0.016 4g . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.764 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O4'-C1'-N19 110.996 2.796 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.639 " O2'" ' HE3' ' A' ' 7' ' ' LYS . . . . . . . . 0 P--O5' 1.613 1.96 0 O4'-C1'-N19 110.948 2.748 . 0.185 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.349 0 O4'-C1'-N19 111.271 3.071 . 0.093 1f . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.156 0 C5'-C4'-C3' 111.329 -2.78 . 0.142 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.441 " O2'" " H5'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.927 0 O4'-C1'-N19 111.134 2.934 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.482 " H2'" " O4'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.952 0 C5'-C4'-C3' 111.376 -2.749 . 0.108 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . 0.482 " O4'" " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.099 0 C5'-C4'-C3' 111.283 -2.811 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.843 0 C5'-C4'-C3' 111.236 -2.843 . 0.309 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.08 0 C5'-C4'-C3' 111.119 -2.921 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.164 0 O4'-C1'-N19 111.106 2.906 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.19 0 O4'-C1'-N19 111.093 2.893 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.476 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.949 0 C5'-C4'-C3' 110.982 -3.012 . 0.099 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.476 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.196 0 C5'-C4'-C3' 110.823 -3.118 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttp . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.32 -76.38 0.25 Allowed 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 -178.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -89.46 -86.29 0.19 Allowed 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.26 83.1 1.65 Allowed Glycine 0 N--CA 1.502 3.053 0 O-C-N 120.806 -1.184 . . . . 0.0 111.17 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -98.19 163.13 12.86 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.334 -1.098 . . . . 0.0 109.646 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt 56.92 22.72 7.44 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.364 -0.835 . . . . 0.0 111.224 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.609 ' C ' ' HD3' ' A' ' 9' ' ' PRO . 11.5 tttt -92.06 44.95 1.19 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.572 -1.33 . . . . 0.0 109.86 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.627 ' HB3' ' HB3' ' A' ' 12' ' ' GLN . 54.0 m -118.95 64.31 6.52 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 121.197 -0.939 . . . . 0.0 110.139 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.609 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 36.7 Cg_endo -78.5 -48.59 0.09 OUTLIER 'Trans proline' 0 C--N 1.317 -1.115 0 C-N-CA 122.227 1.952 . . . . 0.0 111.94 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.7 mt -131.57 -67.17 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 120.748 -1.22 . . . . 0.0 111.013 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 12' ' ' GLN . 66.2 p -42.72 -66.39 0.37 Allowed 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.224 -0.923 . . . . 0.0 110.608 -179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.627 ' HB3' ' HB3' ' A' ' 8' ' ' SER . 0.0 OUTLIER -52.3 -40.27 61.62 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.314 -0.866 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.869 HG22 ' HG ' ' A' ' 70' ' ' LEU . 40.4 t -59.58 -43.18 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -64.53 -45.17 88.32 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.489 ' CD ' ' HA ' ' A' ' 12' ' ' GLN . 28.0 mt-10 -55.04 -50.16 69.79 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.532 -0.73 . . . . 0.0 109.182 179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.69 -45.78 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.312 -0.868 . . . . 0.0 109.401 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -56.24 -53.55 42.03 Favored Glycine 0 N--CA 1.5 2.929 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.8 -44.91 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.469 -1.018 . . . . 0.0 108.99 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 2.5 tptt -54.26 -45.6 72.43 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.336 -0.852 . . . . 0.0 109.81 179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HD2' ' SD ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -91.65 14.78 14.18 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.253 -0.904 . . . . 0.0 110.364 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 51.34 38.14 20.8 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.131 -0.98 . . . . 0.0 109.912 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.406 ' SD ' ' HD2' ' A' ' 20' ' ' ARG . 3.6 mtt -97.71 134.52 40.78 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.209 -0.932 . . . . 0.0 110.129 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.537 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -73.74 79.17 1.56 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.041 -1.037 . . . . 0.0 109.014 179.115 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.471 HG12 ' HE1' ' A' ' 26' ' ' PHE . 15.8 t -88.44 97.98 7.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.517 -0.739 . . . . 0.0 109.32 -179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.537 ' NE2' HG22 ' A' ' 23' ' ' THR . 11.4 m-70 -132.15 116.46 17.02 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.08 -1.012 . . . . 0.0 109.803 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.661 ' HB3' ' CB ' ' A' ' 44' ' ' CYS . 0.5 OUTLIER -130.69 154.82 47.53 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.982 -1.074 . . . . 0.0 110.712 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.98 151.81 6.15 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.448 -0.782 . . . . 0.0 109.868 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.639 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 4.8 m -76.33 150.83 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.033 -1.042 . . . . 0.0 109.971 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 43' ' ' ALA . 6.5 mt -97.08 -42.8 7.69 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.164 -0.96 . . . . 0.0 109.027 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 tpt85 -149.97 141.21 23.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.532 -0.73 . . . . 0.0 109.41 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.79 155.4 18.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.629 -0.669 . . . . 0.0 109.366 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -54.61 134.32 46.79 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.677 -0.64 . . . . 0.0 110.056 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.06 -68.43 0.96 Allowed Glycine 0 N--CA 1.5 2.925 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.417 ' O ' ' N ' ' A' ' 36' ' ' HIS . 36.5 Cg_endo -80.41 129.72 7.67 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.326 2.017 . . . . 0.0 110.04 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.48 78.3 0.07 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.028 . . . . 0.0 109.638 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.1 OUTLIER -140.01 -56.32 0.55 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.984 -1.073 . . . . 0.0 110.086 -179.21 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.516 ' HB3' ' ND2' ' A' ' 39' ' ' ASN . 2.0 mtm -90.16 -39.6 12.74 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.122 -0.986 . . . . 0.0 110.152 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER 50.38 55.5 9.38 Favored 'General case' 0 C--N 1.307 -1.252 0 O-C-N 121.502 -0.749 . . . . 0.0 111.905 178.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.603 ' HA ' ' HA ' ' A' ' 56' ' ' ASN . 66.1 m-20 -114.33 171.24 7.74 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.142 -0.974 . . . . 0.0 109.668 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.455 ' HB3' ' OE1' ' A' ' 54' ' ' GLU . 22.4 m-85 -133.03 151.19 52.08 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.066 -1.021 . . . . 0.0 110.609 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.418 HG23 ' HA2' ' A' ' 53' ' ' GLY . 3.2 mp -143.58 105.62 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.426 -0.796 . . . . 0.0 109.048 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 1.1 m -108.31 124.7 50.73 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.087 -1.008 . . . . 0.0 110.571 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.767 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -80.8 122.68 27.48 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.661 ' CB ' ' HB3' ' A' ' 26' ' ' PHE . 19.3 p -123.21 136.27 54.66 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.167 -0.958 . . . . 0.0 111.374 -178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.702 ' CG1' HG13 ' A' ' 50' ' ' VAL . 1.6 mt -117.51 134.8 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.737 HG22 ' HE3' ' A' ' 69' ' ' MET . 5.6 m -133.24 88.3 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-O 121.794 0.806 . . . . 0.0 109.065 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.514 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 49.38 75.02 0.22 Allowed Glycine 0 N--CA 1.501 3.027 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 t 79.17 -43.14 0.31 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.475 -1.015 . . . . 0.0 111.369 179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.706 ' HB ' HG23 ' A' ' 46' ' ' VAL . 43.5 mt -71.98 135.52 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.608 -1.308 . . . . 0.0 109.204 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.702 HG13 ' CG1' ' A' ' 45' ' ' ILE . 2.1 t -135.43 148.26 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 120.826 -1.171 . . . . 0.0 110.718 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.71 157.1 34.52 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 4.3 pt-20 -147.55 159.09 44.14 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.403 -1.435 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' HA2' HG23 ' A' ' 41' ' ' ILE . . . 127.2 166.53 12.15 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 108.857 -1.697 . . . . 0.0 108.857 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.842 ' HG3' ' HB2' ' A' ' 65' ' ' ALA . 1.5 tt0 -160.43 -163.66 1.13 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.986 -1.302 . . . . 0.0 111.051 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.439 ' HA2' ' NH1' ' A' ' 64' ' ' ARG . . . -93.9 -154.71 31.26 Favored Glycine 0 N--CA 1.5 2.965 0 O-C-N 121.35 -0.844 . . . . 0.0 111.295 -178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.603 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 1.0 OUTLIER -115.93 39.18 3.11 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.501 -0.999 . . . . 0.0 110.448 -178.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.63 156.5 13.41 Favored Glycine 0 N--CA 1.502 3.046 0 O-C-N 120.755 -1.216 . . . . 0.0 110.563 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.18 -35.01 24.46 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.663 -0.904 . . . . 0.0 111.73 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -74.81 -37.31 62.35 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.998 -1.064 . . . . 0.0 110.245 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG12 ' HD3' ' A' ' 64' ' ' ARG . 3.8 t -94.27 8.74 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 O-C-N 121.232 -0.917 . . . . 0.0 110.242 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.647 ' OG ' ' N ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -87.71 -106.53 0.07 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.039 -1.038 . . . . 0.0 109.706 -179.023 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.647 ' N ' ' OG ' ' A' ' 61' ' ' SER . 37.8 pttt -45.02 -38.57 4.92 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.816 -1.177 . . . . 0.0 111.126 -179.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.604 ' CE ' ' HG3' ' A' ' 67' ' ' GLU . 1.6 tptm -60.95 -39.07 88.08 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.041 -1.037 . . . . 0.0 109.796 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.459 ' HD3' HG12 ' A' ' 60' ' ' VAL . 12.7 ttt-85 -77.23 -46.54 22.87 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.141 -0.974 . . . . 0.0 110.325 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.842 ' HB2' ' HG3' ' A' ' 54' ' ' GLU . . . -67.29 -47.51 70.4 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.236 -0.915 . . . . 0.0 110.665 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.03 -55.23 11.44 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.93 -1.106 . . . . 0.0 111.333 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.604 ' HG3' ' CE ' ' A' ' 63' ' ' LYS . 1.4 mt-10 -55.3 -40.21 70.82 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.838 -1.164 . . . . 0.0 109.915 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -57.84 -47.84 81.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.02 -1.05 . . . . 0.0 108.986 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.737 ' HE3' HG22 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -64.11 -47.16 81.08 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.339 -0.85 . . . . 0.0 109.3 178.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.869 ' HG ' HG22 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -60.55 -38.5 84.71 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.265 -0.897 . . . . 0.0 110.408 179.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 67' ' ' GLU . 55.1 t -62.24 -50.83 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.182 -0.948 . . . . 0.0 109.624 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.64 -46.4 89.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.247 -0.908 . . . . 0.0 109.316 179.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.435 HD11 HG21 ' A' ' 46' ' ' VAL . 92.9 mt -72.32 -8.74 56.54 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.302 -0.873 . . . . 0.0 110.776 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -15.86 63.65 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.693 -1.255 . . . . 0.0 110.27 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.52 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -122.33 -5.12 8.84 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.104 -0.998 . . . . 0.0 111.022 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 46.0 mt . . . . . 0 N--CA 1.49 1.558 0 O-C-N 120.594 -1.316 . . . . 0.0 110.578 -179.146 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.559 " H2'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.436 1.82 0 C5'-C4'-C3' 111.183 -2.878 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.559 " O4'" " H2'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.979 0 O4'-C1'-N19 111.009 2.809 . 0.208 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.09 0 C5'-C4'-C3' 111.043 -2.971 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 2.387 0 O4'-C1'-N19 111.448 3.248 . 0.275 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.293 -2.804 . 0.027 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C3'-C2'-C1' 104.337 3.152 . 0.242 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.096 0 C5'-C4'-C3' 111.226 -2.849 . 0.081 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.005 0 C5'-C4'-C3' 111.169 -2.887 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.208 0 O4'-C1'-N19 111.152 2.952 . 0.122 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.484 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.166 0 O4'-C1'-N19 111.122 2.922 . 0.339 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.484 ' C6 ' " H2'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.063 0 O4'-C1'-N19 111.044 2.844 . 0.313 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.534 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.067 0 O4'-C1'-N19 111.123 2.923 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.568 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.16 0 C5'-C4'-C3' 111.303 -2.798 . 0.026 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.643 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 C3'-C2'-C1' 104.722 3.58 . 0.233 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.785 0 C5'-C4'-C3' 111.445 -2.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.643 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.886 0 C5'-C4'-C3' 111.243 -2.838 . 0.785 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.832 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.084 0 C5'-C4'-C3' 110.953 -3.031 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.832 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.23 0 C5'-C4'-C3' 110.875 -3.083 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.413 ' N2 ' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.01 0 C5'-C4'-C3' 110.893 -3.071 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.413 " H1'" ' N2 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.157 0 C5'-C4'-C3' 110.937 -3.042 . 0.027 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.967 0 C5'-C4'-C3' 111.29 -2.807 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.044 0 O4'-C1'-N19 110.987 2.787 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.051 0 C5'-C4'-C3' 111.359 -2.761 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.996 0 C5'-C4'-C3' 111.333 -2.778 . 0.177 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.216 0 O4'-C1'-N19 110.964 2.764 . 0.169 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.032 0 C5'-C4'-C3' 111.136 -2.909 . 0.025 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.954 0 O4'-C1'-N19 110.999 2.799 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.61 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.083 0 C5'-C4'-C3' 111.204 -2.864 . 0.012 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.42 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.034 0 C5'-C4'-C3' 111.145 -2.903 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.42 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.428 -2.093 0 C5'-C4'-C3' 111.259 -2.827 . 0.228 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.548 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 121.893 0.854 . . . . 0.0 109.087 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.99 38.12 1.91 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-O 122.063 0.935 . . . . 0.0 109.462 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.548 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 24.2 mp0 -76.56 153.91 34.96 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.377 -0.827 . . . . 0.0 109.813 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.33 -57.24 17.62 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.553 ' C ' ' HG2' ' A' ' 6' ' ' LYS . 3.1 p-10 -98.09 173.39 7.06 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.462 -1.023 . . . . 0.0 109.265 179.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.553 ' HG2' ' C ' ' A' ' 5' ' ' ASP . 0.2 OUTLIER -145.39 89.47 1.94 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.105 -0.997 . . . . 0.0 109.046 -179.786 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.517 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -53.58 150.84 6.47 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.202 -0.936 . . . . 0.0 110.833 -179.239 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -71.33 135.18 84.45 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.052 -1.03 . . . . 0.0 109.903 179.539 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.678 ' O ' HG23 ' A' ' 13' ' ' VAL . 36.6 Cg_endo -78.77 21.06 0.74 Allowed 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 122.617 2.212 . . . . 0.0 112.142 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.0 mt -48.44 -49.2 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.239 0 O-C-N 120.948 -1.095 . . . . 0.0 110.061 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 p -53.99 -60.31 3.49 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.377 -0.827 . . . . 0.0 109.45 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -53.54 -41.21 66.17 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.609 -0.682 . . . . 0.0 110.159 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.837 HG22 HD21 ' A' ' 70' ' ' LEU . 42.8 t -59.88 -45.27 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 O-C-N 120.94 -1.1 . . . . 0.0 108.378 178.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -63.81 -44.01 94.54 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 26.5 mt-10 -58.26 -48.23 81.08 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.656 -0.652 . . . . 0.0 109.499 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 89.3 mt -59.26 -46.61 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.985 0 O-C-N 121.326 -0.859 . . . . 0.0 109.621 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 -48.61 80.26 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 109.432 -1.467 . . . . 0.0 109.432 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.642 HG13 HG21 ' A' ' 24' ' ' VAL . 43.5 mt -62.46 -49.42 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.417 -1.049 . . . . 0.0 109.632 179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 4.6 tttp -54.29 -39.78 67.27 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.358 -0.839 . . . . 0.0 110.197 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' NH2' ' O ' ' A' ' 73' ' ' LEU . 6.3 mtm180 -91.12 18.76 6.45 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.109 -0.994 . . . . 0.0 110.341 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 52.17 38.62 24.92 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.13 -0.981 . . . . 0.0 110.181 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.536 ' SD ' HD22 ' A' ' 73' ' ' LEU . 19.7 mtp -101.64 138.73 38.24 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.045 -1.034 . . . . 0.0 109.9 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.544 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -56.91 110.24 0.78 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.238 -0.914 . . . . 0.0 109.824 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.642 HG21 HG13 ' A' ' 18' ' ' ILE . 41.3 t -81.92 69.37 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 120.869 -1.144 . . . . 0.0 109.063 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.52 ' HB2' HG22 ' A' ' 45' ' ' ILE . 10.0 m-70 -85.44 84.94 7.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.93 -1.107 . . . . 0.0 110.339 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.453 ' CZ ' HG11 ' A' ' 13' ' ' VAL . 5.8 m-85 -109.87 115.21 29.4 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.251 -0.905 . . . . 0.0 108.749 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' CE ' ' O ' ' A' ' 28' ' ' VAL . 2.2 ttpt -154.58 141.73 19.41 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.861 -1.15 . . . . 0.0 110.765 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.847 HG11 ' CG ' ' A' ' 31' ' ' GLU . 17.8 t -86.3 142.16 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.927 -1.108 . . . . 0.0 109.343 179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.428 HD12 ' CG2' ' A' ' 41' ' ' ILE . 2.3 mt -95.05 -41.45 9.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.252 -0.905 . . . . 0.0 109.952 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.457 ' HB2' HD12 ' A' ' 41' ' ' ILE . 11.3 mtt180 -150.38 120.95 7.45 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.392 -0.817 . . . . 0.0 110.908 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.847 ' CG ' HG11 ' A' ' 28' ' ' VAL . 8.5 mt-10 -116.77 134.65 54.54 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 178.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 6.3 tp10 11.03 96.11 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.776 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.17 -72.76 1.19 Allowed Glycine 0 N--CA 1.504 3.184 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.64 85.48 1.81 Allowed 'Trans proline' 0 C--N 1.314 -1.257 0 C-N-CA 122.532 2.155 . . . . 0.0 109.225 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.479 ' HB1' ' N2 ' ' B' ' 2' ' ' ' G' . . . -36.81 108.38 0.07 Allowed 'General case' 0 N--CA 1.503 2.18 0 CA-C-O 121.417 0.627 . . . . 0.0 111.59 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -176.84 -60.03 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.053 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.17 67.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 CA-C-O 121.77 0.795 . . . . 0.0 108.946 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.13 -159.58 0.72 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.97 -1.081 . . . . 0.0 110.464 -178.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -123.74 152.25 42.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.883 -1.136 . . . . 0.0 109.241 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 32' ' ' GLU . 6.5 m-85 -103.96 125.41 50.32 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.394 -0.816 . . . . 0.0 109.35 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.598 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 55.3 mt -97.67 91.36 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 120.794 -1.191 . . . . 0.0 110.648 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.664 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 55.1 m -95.08 128.74 42.14 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.199 -0.938 . . . . 0.0 108.85 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.752 ' HB1' ' O ' ' A' ' 51' ' ' THR . . . -113.68 168.11 10.05 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.892 -1.13 . . . . 0.0 111.921 -179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.645 ' HB2' HG11 ' A' ' 50' ' ' VAL . 14.1 m -152.79 159.87 43.09 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.72 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -170.2 143.71 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.366 -0.833 . . . . 0.0 110.845 179.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.746 HG21 HD21 ' A' ' 73' ' ' LEU . 3.7 m -134.64 95.14 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.69 -86.8 0.16 Allowed Glycine 0 N--CA 1.498 2.787 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 p -131.47 25.95 4.78 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.269 -1.136 . . . . 0.0 110.599 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.648 ' HB ' HG23 ' A' ' 46' ' ' VAL . 53.2 mt -124.89 150.29 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 O-C-N 120.915 -1.116 . . . . 0.0 109.685 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.766 ' O ' HG23 ' A' ' 51' ' ' THR . 17.1 t 71.33 179.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 121.891 -0.506 . . . . 0.0 109.646 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.766 HG23 ' O ' ' A' ' 50' ' ' VAL . 2.6 p -169.65 -77.65 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.581 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.2 OUTLIER -151.94 171.44 17.8 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.187 -0.946 . . . . 0.0 110.943 179.619 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.57 107.46 0.33 Allowed Glycine 0 N--CA 1.5 2.935 0 N-CA-C 110.255 -1.138 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 2.5 mp0 -74.26 69.62 1.59 Allowed 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.273 -1.133 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' HA3' ' CA ' ' A' ' 61' ' ' SER . . . -53.77 127.15 37.09 Favored Glycine 0 N--CA 1.498 2.8 0 N-CA-C 110.462 -1.055 . . . . 0.0 110.462 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.514 ' O ' HG23 ' A' ' 60' ' ' VAL . 1.4 t-20 -58.64 150.75 22.39 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.446 -1.032 . . . . 0.0 110.246 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.74 -15.58 81.21 Favored Glycine 0 N--CA 1.504 3.202 0 O-C-N 121.22 -0.925 . . . . 0.0 110.943 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -65.28 -36.19 83.32 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.085 -1.244 . . . . 0.0 110.707 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 pttp 177.0 54.73 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.283 -0.885 . . . . 0.0 110.108 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.999 HG12 ' HB2' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -156.39 -179.59 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.244 0 O-C-N 121.102 -0.999 . . . . 0.0 109.363 -179.663 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 1.1 t 90.0 125.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 122.142 0.973 . . . . 0.0 109.344 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.627 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.0 OUTLIER 80.37 -58.46 0.32 Allowed 'General case' 0 N--CA 1.499 1.995 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -177.888 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -69.26 -53.04 21.8 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 107.918 -1.141 . . . . 0.0 107.918 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.999 ' HB2' HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -64.29 -42.44 96.4 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.948 -0.47 . . . . 0.0 110.355 179.267 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.437 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -56.03 -44.59 78.89 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.127 -0.983 . . . . 0.0 108.489 179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.708 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -70.73 -43.77 68.23 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 64' ' ' ARG . 20.3 mt-10 -48.56 -51.81 25.86 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.545 -0.722 . . . . 0.0 109.295 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -63.56 -51.39 65.61 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.319 -0.863 . . . . 0.0 109.031 179.002 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.656 ' CE ' HG13 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -48.74 -41.94 33.77 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.265 -0.897 . . . . 0.0 110.185 179.194 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.837 HD21 HG22 ' A' ' 13' ' ' VAL . 31.0 mt -67.98 -54.93 14.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.203 -0.936 . . . . 0.0 110.305 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 68' ' ' LYS . 35.1 m -57.6 -34.06 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 120.842 -1.161 . . . . 0.0 109.537 179.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 68' ' ' LYS . 1.6 mt-10 -71.98 -51.79 20.2 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.044 -1.035 . . . . 0.0 108.795 178.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.746 HD21 HG21 ' A' ' 46' ' ' VAL . 41.9 mt -64.01 -22.91 67.13 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.188 -0.945 . . . . 0.0 109.918 179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -86.68 -17.11 34.55 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.87 -1.144 . . . . 0.0 109.695 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -103.17 -16.41 15.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.407 -0.808 . . . . 0.0 109.758 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.1 mt . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.916 -179.48 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.064 0 C5'-C4'-C3' 111.114 -2.924 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.479 ' N2 ' ' HB1' ' A' ' 35' ' ' ALA . . . . . . . . 0 O4'--C1' 1.438 2.016 0 C5'-C4'-C3' 111.189 -2.874 . 0.014 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.568 " O2'" ' HB3' ' A' ' 32' ' ' GLU . . . . . . . . 0 O4'--C1' 1.438 2.039 0 C5'-C4'-C3' 111.172 -2.886 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.419 " O4'" " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.065 0 C5'-C4'-C3' 110.988 -3.008 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.972 0 C5'-C4'-C3' 111.05 -2.967 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.9 0 O4'-C1'-N19 110.972 2.772 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.031 0 C5'-C4'-C3' 111.286 -2.81 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.159 0 C5'-C4'-C3' 111.176 -2.883 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.158 0 O4'-C1'-N19 110.965 2.765 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.936 0 C5'-C4'-C3' 111.158 -2.895 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.487 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.137 0 O4'-C1'-N19 111.114 2.914 . 0.072 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.436 " H2'" ' C6 ' ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.108 0 O4'-C1'-N19 111.029 2.829 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.57 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.919 0 C5'-C4'-C3' 111.001 -3.0 . 0.157 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.616 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.405 0 C5'-C4'-C3' 110.696 -3.203 . 0.261 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.844 0 O4'-C1'-N19 110.945 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.616 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.128 0 C5'-C4'-C3' 111.444 -2.704 . 0.32 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.964 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.033 0 O4'-C1'-N19 111.233 3.033 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.964 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.138 0 C5'-C4'-C3' 111.275 -2.817 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.614 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.081 0 C5'-C4'-C3' 111.07 -2.953 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.427 0 O4'-C1'-N19 111.015 2.815 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.074 0 C5'-C4'-C3' 111.099 -2.934 . 0.014 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.502 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.231 -2.846 . 0.105 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.029 0 C5'-C4'-C3' 111.11 -2.927 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.998 0 O4'-C1'-N19 110.968 2.768 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.127 0 O4'-C1'-N19 111.141 2.941 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.103 0 O4'-C1'-N19 111.015 2.815 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.934 0 C5'-C4'-C3' 111.176 -2.882 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.965 0 O4'-C1'-N19 111.17 2.97 . 0.167 1m . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.521 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.144 0 O4'-C1'-N19 111.062 2.862 . 0.275 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.521 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.169 0 C5'-C4'-C3' 111.142 -2.905 . 0.62 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.28 20.54 3.7 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 121.764 0.792 . . . . 0.0 108.987 -178.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.2 66.0 1.64 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.163 -0.96 . . . . 0.0 110.381 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.46 128.2 0.93 Allowed Glycine 0 N--CA 1.5 2.936 0 N-CA-C 110.224 -1.15 . . . . 0.0 110.224 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 2.0 p-10 -108.79 -154.64 0.54 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.331 -1.1 . . . . 0.0 110.136 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 5' ' ' ASP . 1.6 tttt 173.72 -39.41 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.364 -0.835 . . . . 0.0 109.418 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.523 ' C ' ' HD3' ' A' ' 9' ' ' PRO . 3.1 mptt -98.93 95.13 6.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.239 -0.913 . . . . 0.0 109.149 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 p -112.99 73.17 1.55 Allowed Pre-proline 0 N--CA 1.499 1.978 0 O-C-N 121.24 -0.913 . . . . 0.0 110.497 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.698 ' O ' HG23 ' A' ' 13' ' ' VAL . 34.0 Cg_endo -74.04 -65.31 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 122.219 1.946 . . . . 0.0 110.32 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.77 -42.2 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.014 -1.053 . . . . 0.0 109.174 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -62.02 1.93 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.308 -0.87 . . . . 0.0 109.689 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.434 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 22.8 mt-30 -53.56 -41.98 67.07 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.406 -0.809 . . . . 0.0 110.116 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.86 HG22 HD21 ' A' ' 70' ' ' LEU . 74.0 t -58.33 -41.11 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 120.872 -1.143 . . . . 0.0 108.201 178.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.53 ' HB3' ' N3 ' ' B' ' 16' ' ' ' C' . 9.8 m-70 -69.39 -41.66 76.18 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 177.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.52 ' HG2' " C2'" ' B' ' 15' ' ' ' U' . 3.4 mt-10 -56.86 -43.32 81.08 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.711 -0.618 . . . . 0.0 109.948 179.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 13' ' ' VAL . 1.4 pp -83.43 -28.86 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 120.925 -1.109 . . . . 0.0 110.161 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.531 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -72.97 -55.53 6.33 Favored Glycine 0 N--CA 1.499 2.885 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 18' ' ' ILE . 47.6 mm -76.32 63.8 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 CA-C-O 122.252 1.025 . . . . 0.0 108.331 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' NZ ' " H1'" ' B' ' 15' ' ' ' U' . 0.1 OUTLIER -171.4 -49.57 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.253 -0.904 . . . . 0.0 109.113 -179.075 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -99.09 34.22 2.18 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.302 -0.874 . . . . 0.0 109.672 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t30 50.72 49.13 21.56 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.273 -0.892 . . . . 0.0 110.182 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.568 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 11.7 mtp -116.69 115.9 26.52 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.03 -1.044 . . . . 0.0 110.05 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.499 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -75.12 95.35 3.07 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.246 -0.909 . . . . 0.0 109.836 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.714 HG11 HG12 ' A' ' 13' ' ' VAL . 94.5 t -82.93 107.65 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.313 -0.867 . . . . 0.0 109.749 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.585 ' HB2' HG22 ' A' ' 45' ' ' ILE . 8.2 m-70 -130.24 108.99 10.44 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 120.99 -1.069 . . . . 0.0 109.791 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.433 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 75.2 m-85 -79.75 161.96 25.42 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.144 -0.973 . . . . 0.0 110.129 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.433 ' HE3' ' O ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -159.5 149.41 18.69 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.198 -0.939 . . . . 0.0 110.176 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 91.8 t -114.8 128.35 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.018 -1.051 . . . . 0.0 108.593 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 43' ' ' ALA . 6.8 mt -78.82 -58.9 3.01 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.137 -0.977 . . . . 0.0 109.571 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.51 163.08 3.56 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.408 -0.808 . . . . 0.0 110.421 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -109.99 144.98 37.75 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 179.59 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -138.8 155.88 47.8 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.067 -1.02 . . . . 0.0 110.165 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.97 176.33 14.48 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -76.81 170.52 19.69 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.561 2.174 . . . . 0.0 110.964 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.33 59.63 0.58 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.923 -1.111 . . . . 0.0 110.018 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.614 ' CE1' ' H21' ' B' ' 1' ' ' ' G' . 4.3 m-70 -150.07 -59.4 0.19 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.3 -0.875 . . . . 0.0 109.019 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 58.0 tpp -144.75 88.39 1.91 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -85.49 147.38 26.49 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.414 -0.804 . . . . 0.0 110.908 -178.692 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -78.98 135.87 37.05 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.356 -0.84 . . . . 0.0 109.194 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -117.29 106.28 13.1 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.046 -1.034 . . . . 0.0 110.805 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 41' ' ' ILE . 1.2 tp -88.43 122.05 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.155 -0.966 . . . . 0.0 109.771 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 60.9 m -113.66 123.73 50.62 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.162 -0.961 . . . . 0.0 110.316 -179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -96.33 118.41 32.82 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.154 -0.966 . . . . 0.0 109.672 179.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.688 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 39.6 m -103.01 137.4 41.25 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.994 -1.066 . . . . 0.0 110.458 -179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.703 HG13 HG22 ' A' ' 50' ' ' VAL . 10.8 tt -123.36 138.44 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.299 -0.875 . . . . 0.0 108.942 178.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.568 ' CG1' ' HB3' ' A' ' 22' ' ' MET . 87.9 t -136.8 101.66 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.377 -0.827 . . . . 0.0 109.59 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.499 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 67.44 -99.67 0.54 Allowed Glycine 0 N--CA 1.5 2.902 0 N-CA-C 110.168 -1.173 . . . . 0.0 110.168 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.7 p -119.54 26.68 9.23 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.378 -1.072 . . . . 0.0 110.454 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.7 mp -133.67 147.62 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 O-C-N 120.937 -1.102 . . . . 0.0 109.992 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.703 HG22 HG13 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -134.31 143.95 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.202 -0.936 . . . . 0.0 109.35 179.284 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.676 ' HB ' ' HG2' ' A' ' 69' ' ' MET . 73.5 m -145.42 130.71 18.57 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.556 -0.715 . . . . 0.0 109.661 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 2.1 mp0 -88.54 144.65 26.2 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.284 -0.885 . . . . 0.0 110.695 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.662 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -127.56 104.96 0.71 Allowed Glycine 0 N--CA 1.497 2.714 0 N-CA-C 108.969 -1.652 . . . . 0.0 108.969 179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -78.16 86.37 4.3 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.393 -1.063 . . . . 0.0 110.877 -178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.723 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -71.24 117.81 6.98 Favored Glycine 0 N--CA 1.506 3.322 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 178.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -96.02 60.79 2.08 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.118 -1.225 . . . . 0.0 110.865 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.719 ' O ' HG23 ' A' ' 60' ' ' VAL . . . 62.21 -148.74 48.35 Favored Glycine 0 N--CA 1.501 3.018 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt 43.83 41.61 3.9 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.459 -1.024 . . . . 0.0 111.041 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 39.2 mttt 64.16 25.98 13.78 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.107 -0.996 . . . . 0.0 110.809 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 57' ' ' GLY . 2.2 t -110.41 147.57 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 121.069 -1.019 . . . . 0.0 108.995 178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.723 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 57.9 p 153.16 -88.6 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.624 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -57.99 -37.63 74.6 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -65.71 -71.55 0.19 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.483 ' HB2' HG12 ' A' ' 60' ' ' VAL . 3.9 ttt180 -41.92 -38.51 1.59 Allowed 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.41 -0.806 . . . . 0.0 110.801 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.688 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -72.0 -46.19 58.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.206 -0.934 . . . . 0.0 109.373 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.46 -48.49 69.76 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.29 -0.881 . . . . 0.0 109.384 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.08 -48.03 61.71 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.633 -0.667 . . . . 0.0 109.46 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.536 ' HB3' HG21 ' A' ' 51' ' ' THR . 1.1 mmmt -57.18 -52.62 64.58 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.404 -0.81 . . . . 0.0 108.92 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.676 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -56.11 -50.32 71.39 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.472 -0.767 . . . . 0.0 109.897 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.86 HD21 HG22 ' A' ' 13' ' ' VAL . 65.7 mt -57.35 -52.55 64.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.387 -0.821 . . . . 0.0 109.243 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.4 t -55.74 -42.86 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.55 -0.719 . . . . 0.0 109.514 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.479 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -59.13 -62.43 1.89 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.388 -0.82 . . . . 0.0 111.066 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.13 -33.77 70.41 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.815 -1.178 . . . . 0.0 111.527 -178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 70' ' ' LEU . 30.0 mt-30 -71.91 -16.53 62.12 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.587 -1.321 . . . . 0.0 109.623 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -93.05 -57.62 2.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.274 -0.891 . . . . 0.0 109.235 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 76' ' ' LEU . 5.0 mt . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 119.345 -0.36 . . . . 0.0 111.195 -179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.614 ' H21' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C5'-C4'-C3' 111.364 -2.757 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.041 0 O4'-C1'-N19 111.231 3.031 . 0.119 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.325 0 C5'-C4'-C3' 110.873 -3.085 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.079 0 O4'-C1'-N19 111.207 3.007 . 0.06 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.415 ' N1 ' ' N3 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.112 0 C5'-C4'-C3' 111.204 -2.864 . 0.394 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.116 0 C5'-C4'-C3' 111.292 -2.805 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.433 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.952 0 C5'-C4'-C3' 111.099 -2.934 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.452 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.978 0 C5'-C4'-C3' 111.3 -2.8 . 0.25 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.013 0 C5'-C4'-C3' 111.218 -2.855 . 0.049 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.446 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.071 0 O4'-C1'-N19 111.081 2.881 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.416 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.091 0 O4'-C1'-N19 111.131 2.931 . 0.115 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.491 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.135 0 O4'-C1'-N19 111.032 2.832 . 0.054 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.462 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.982 0 C5'-C4'-C3' 111.125 -2.917 . 0.198 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.837 " O2'" ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.221 0 C3'-C2'-C1' 104.389 3.21 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.52 " C2'" ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.613 2.032 0 O4'-C1'-N19 111.408 3.208 . 0.071 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.837 ' H5 ' " O2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.914 0 C5'-C4'-C3' 111.326 -2.782 . 0.054 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.466 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.016 0 O4'-C1'-N19 111.077 2.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.672 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.962 0 C5'-C4'-C3' 111.12 -2.92 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.672 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.127 0 C5'-C4'-C3' 111.215 -2.856 . 0.105 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.199 0 C5'-C4'-C3' 110.933 -3.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.009 0 C5'-C4'-C3' 111.223 -2.852 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.034 0 O4'-C1'-N19 111.077 2.877 . 0.185 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.012 0 C5'-C4'-C3' 111.268 -2.821 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.082 0 O4'-C1'-N19 111.079 2.879 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.53 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.95 0 O4'-C1'-N19 111.04 2.84 . 0.414 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.53 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -2.023 0 C5'-C4'-C3' 111.324 -2.784 . 0.407 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.941 0 O4'-C1'-N19 110.954 2.754 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.945 0 C5'-C4'-C3' 111.345 -2.77 . 0.305 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.277 0 C5'-C4'-C3' 111.255 -2.83 . 0.467 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.785 0 C3'-C2'-C1' 104.211 3.012 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 2' ' ' ASP . 24.0 ttm . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 1' ' ' MET . 4.0 m-20 34.73 -119.96 0.1 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 122.313 -0.242 . . . . 0.0 110.749 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.58 76.16 0.18 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.095 -1.003 . . . . 0.0 109.795 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.95 41.28 2.21 Favored Glycine 0 N--CA 1.502 3.057 0 O-C-N 120.641 -1.287 . . . . 0.0 111.063 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.507 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 29.3 t70 -60.96 143.76 54.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.288 -1.125 . . . . 0.0 110.268 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.507 ' NZ ' ' O ' ' A' ' 5' ' ' ASP . 0.7 OUTLIER -158.29 36.89 0.24 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.416 -0.802 . . . . 0.0 109.588 -179.676 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.27 147.08 23.87 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.185 -0.947 . . . . 0.0 110.198 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.593 ' OG ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 175.67 -55.78 0.0 OUTLIER Pre-proline 0 N--CA 1.503 2.177 0 O-C-N 121.227 -0.921 . . . . 0.0 110.709 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.632 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 32.3 Cg_endo -71.72 0.64 6.71 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.334 2.023 . . . . 0.0 112.36 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp -115.55 -67.68 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.634 -1.291 . . . . 0.0 109.407 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 p -63.87 -73.73 0.11 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.96 -1.087 . . . . 0.0 110.127 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.76 -43.98 6.41 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.547 -0.721 . . . . 0.0 110.977 -179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.815 HG22 ' HG ' ' A' ' 70' ' ' LEU . 90.1 t -59.68 -52.34 62.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 120.935 -1.103 . . . . 0.0 108.955 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.563 ' HB3' ' N7 ' ' B' ' 17' ' ' ' G' . 12.8 m-70 -59.8 -39.47 85.08 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -57.93 -51.91 67.7 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 68.6 mt -58.95 -40.2 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.376 -0.827 . . . . 0.0 108.857 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.899 ' HA3' HG12 ' A' ' 24' ' ' VAL . . . -55.26 -45.36 83.13 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 108.589 -1.805 . . . . 0.0 108.589 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 18' ' ' ILE . 41.9 mm -94.47 49.31 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 CA-C-O 122.112 0.958 . . . . 0.0 108.502 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -153.94 -58.33 0.12 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.84 -1.162 . . . . 0.0 109.511 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.64 32.51 1.22 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.204 -0.935 . . . . 0.0 109.462 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 50.26 38.05 16.55 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.471 -0.768 . . . . 0.0 110.046 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.2 mtt -93.54 -26.68 17.03 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.281 -0.887 . . . . 0.0 110.549 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.817 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER 50.17 56.7 7.52 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.144 -0.973 . . . . 0.0 109.585 -179.779 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.899 HG12 ' HA3' ' A' ' 17' ' ' GLY . 13.7 p -70.13 116.1 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.364 -0.835 . . . . 0.0 110.694 -179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.817 ' NE2' HG22 ' A' ' 23' ' ' THR . 94.4 m-70 -122.45 119.18 30.22 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.236 -0.915 . . . . 0.0 109.504 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CE1' ' HA ' ' A' ' 66' ' ' ALA . 71.7 m-85 -98.55 125.37 43.77 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.287 -0.883 . . . . 0.0 110.201 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -148.21 155.86 41.87 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -0.931 . . . . 0.0 110.256 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.6 p -98.18 157.18 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.178 -0.951 . . . . 0.0 109.479 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.617 HD21 ' CB ' ' A' ' 43' ' ' ALA . 7.1 mt -102.9 -62.38 1.28 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.152 -0.968 . . . . 0.0 109.377 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 167.5 155.79 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.99 173.76 6.17 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.293 -0.879 . . . . 0.0 110.106 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.663 ' HB2' ' HD2' ' A' ' 38' ' ' LYS . 7.4 mt-10 -77.91 53.14 1.12 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.068 -1.02 . . . . 0.0 109.294 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.36 105.97 0.19 Allowed Glycine 0 N--CA 1.495 2.595 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -71.86 54.6 2.11 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.238 1.959 . . . . 0.0 111.271 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HA ' ' N3 ' ' B' ' 3' ' ' ' A' . . . -153.13 16.61 0.55 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.134 -0.979 . . . . 0.0 110.764 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.429 ' HE1' " H1'" ' B' ' 30' ' ' ' C' . 0.1 OUTLIER -156.06 58.5 0.59 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.513 -1.367 . . . . 0.0 111.454 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 ttt 38.73 82.59 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 CA-C-O 121.626 0.727 . . . . 0.0 111.387 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.663 ' HD2' ' HB2' ' A' ' 32' ' ' GLU . 13.2 mmtm -124.04 158.52 31.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.892 -1.13 . . . . 0.0 111.185 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -83.16 170.28 14.91 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.58 -0.7 . . . . 0.0 109.546 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -121.36 147.62 45.45 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.193 -0.942 . . . . 0.0 110.012 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.483 ' CG2' ' HA2' ' A' ' 53' ' ' GLY . 22.6 mm -126.44 123.23 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.449 -0.782 . . . . 0.0 109.24 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -95.06 159.03 15.21 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.22 -0.925 . . . . 0.0 110.007 -179.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.666 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . . . -133.8 136.01 44.22 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.999 -1.063 . . . . 0.0 109.767 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 34.2 t -131.19 145.05 51.79 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.995 -1.066 . . . . 0.0 110.378 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.653 ' HB ' ' HB2' ' A' ' 25' ' ' HIS . 0.5 OUTLIER -98.39 126.88 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.321 -0.862 . . . . 0.0 109.107 179.433 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.725 HG21 HD22 ' A' ' 73' ' ' LEU . 14.1 p -123.59 112.77 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.486 -0.759 . . . . 0.0 109.493 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -7.21 75.39 0.0 OUTLIER Glycine 1 N--CA 1.517 4.082 0 C-N-CA 123.432 0.539 . . . . 0.0 112.973 -179.352 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 m 157.08 -63.51 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.329 0 O-C-N 122.034 -0.686 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.443 HG13 ' C ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -153.3 -169.68 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.366 -0.834 . . . . 0.0 109.375 -179.696 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.553 HG22 ' CD1' ' A' ' 45' ' ' ILE . 10.7 t -99.96 150.97 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.028 -1.045 . . . . 0.0 109.415 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.614 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.1 OUTLIER -166.95 140.51 3.73 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.342 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.698 ' CG ' ' HB1' ' A' ' 65' ' ' ALA . 5.9 tp10 171.23 -128.03 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.902 -0.499 . . . . 0.0 110.088 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 41' ' ' ILE . . . 116.95 -139.85 15.45 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' HG3' ' HD3' ' A' ' 68' ' ' LYS . 6.2 mm-40 56.66 173.56 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 121.878 0.847 . . . . 0.0 111.188 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 126.29 82.53 0.45 Allowed Glycine 0 N--CA 1.5 2.92 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.98 -1.92 11.11 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.263 -1.14 . . . . 0.0 111.84 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.17 -47.53 3.78 Favored Glycine 0 N--CA 1.503 3.122 0 O-C-N 120.624 -1.298 . . . . 0.0 110.514 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -68.23 71.55 0.18 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.149 -1.207 . . . . 0.0 110.24 -179.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.8 tttt 61.21 21.98 12.37 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.504 -0.747 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 61' ' ' SER . 3.1 t -115.27 144.21 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 120.683 -1.261 . . . . 0.0 109.868 179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 6.0 t 155.86 -87.94 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.263 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.3 tttt -46.76 -40.22 13.14 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.523 -0.735 . . . . 0.0 110.08 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HE3' ' OE1' ' A' ' 67' ' ' GLU . 0.4 OUTLIER -72.44 -78.23 0.09 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.387 -0.82 . . . . 0.0 109.451 179.352 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -39.25 -41.57 0.89 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.505 -0.747 . . . . 0.0 111.051 -179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.698 ' HB1' ' CG ' ' A' ' 52' ' ' GLU . . . -59.75 -66.34 0.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.387 -0.821 . . . . 0.0 108.988 179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.417 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -51.24 -45.26 61.93 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.166 -0.959 . . . . 0.0 110.023 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -52.33 -53.12 48.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.434 -0.791 . . . . 0.0 109.376 179.289 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.485 ' O ' HG12 ' A' ' 71' ' ' VAL . 2.5 tttt -67.08 -50.48 61.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.48 -0.763 . . . . 0.0 110.402 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.658 ' HE2' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -52.62 -54.69 29.68 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.285 -0.884 . . . . 0.0 110.536 -179.254 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.815 ' HG ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -72.11 -41.17 67.54 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.909 -1.119 . . . . 0.0 111.584 -178.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER -52.94 -29.57 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.107 0 O-C-N 120.415 -1.428 . . . . 0.0 109.375 179.648 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.84 -50.84 5.52 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.18 -0.95 . . . . 0.0 109.401 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.725 HD22 HG21 ' A' ' 46' ' ' VAL . 37.7 mt -65.7 -17.22 64.45 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.277 -0.889 . . . . 0.0 111.704 -179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.428 ' HG3' HD13 ' A' ' 70' ' ' LEU . 34.1 mt-30 -76.91 10.02 2.54 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.626 -1.296 . . . . 0.0 110.37 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -118.35 -43.9 2.7 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.075 -1.016 . . . . 0.0 110.879 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.853 -1.07 . . . . 0.0 110.949 -178.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.088 0 C5'-C4'-C3' 111.433 -2.711 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.406 " O2'" " H5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.175 0 O4'-C1'-N19 111.075 2.875 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.572 ' N3 ' ' HA ' ' A' ' 35' ' ' ALA . . . . . . . . 0 O4'--C1' 1.437 1.917 0 O4'-C1'-N19 111.266 3.066 . 0.272 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.504 ' C6 ' " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.105 0 O4'-C1'-N19 111.122 2.922 . 0.082 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.104 0 O4'-C1'-N19 111.081 2.881 . 0.161 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . 0.487 " H2'" ' C6 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.117 0 O4'-C1'-N19 111.018 2.818 . 0.505 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.487 ' C6 ' " H2'" ' B' ' 6' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.241 0 O4'-C1'-N19 111.198 2.998 . 0.275 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.437 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.012 0 C5'-C4'-C3' 111.189 -2.874 . 0.295 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.017 0 C5'-C4'-C3' 111.307 -2.796 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.421 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.857 0 C5'-C4'-C3' 111.218 -2.854 . 0.261 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.809 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.119 0 O4'-C1'-N19 111.043 2.843 . 0.033 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.809 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.846 0 O4'-C1'-N19 111.001 2.801 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.402 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.972 0 O4'-C1'-N19 111.817 3.617 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.55 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.323 0 C3'-C2'-C1' 105.012 3.903 . 0.098 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.422 " O5'" ' H6 ' ' B' ' 15' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C5'-C4'-C3' 111.276 -2.816 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.55 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.234 0 O4'-C1'-N19 111.185 2.985 . 0.099 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.829 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.008 0 C5'-C4'-C3' 110.963 -3.025 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.829 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.939 0 C5'-C4'-C3' 111.211 -2.859 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.404 ' H21' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.098 0 O4'-C1'-N19 111.277 3.077 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.404 " H1'" ' H21' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.05 0 C5'-C4'-C3' 110.903 -3.064 . 0.078 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.814 0 C5'-C4'-C3' 111.189 -2.874 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.005 0 C5'-C4'-C3' 111.309 -2.794 . 0.127 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.034 0 C5'-C4'-C3' 111.423 -2.718 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . 0.475 " H2'" ' C6 ' ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.96 0 C5'-C4'-C3' 111.25 -2.833 . 0.45 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.475 ' C6 ' " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.186 0 C5'-C4'-C3' 111.298 -2.801 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.438 ' C5 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.098 0 C5'-C4'-C3' 111.395 -2.737 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.039 0 C5'-C4'-C3' 111.279 -2.814 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.061 0 C5'-C4'-C3' 110.995 -3.004 . 0.275 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.431 -1.873 0 C5'-C4'-C3' 110.958 -3.028 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.429 " H1'" ' HE1' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 C5'-C4'-C3' 111.037 -2.975 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.473 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 3.6 mtp . . . . . 0 N--CA 1.497 1.901 0 CA-C-O 120.794 0.331 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.23 50.96 1.93 Allowed 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 121.92 0.867 . . . . 0.0 108.917 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 1' ' ' MET . 1.1 mp0 -66.15 83.04 0.08 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.325 -0.859 . . . . 0.0 110.767 -178.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.62 58.76 2.95 Favored Glycine 0 N--CA 1.499 2.875 0 N-CA-C 110.34 -1.104 . . . . 0.0 110.34 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.543 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -76.55 76.18 3.25 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.268 -1.136 . . . . 0.0 109.042 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.543 ' NZ ' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 171.42 141.2 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.121 -1.612 . . . . 0.0 109.94 -179.108 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER 69.2 -162.95 0.18 Allowed 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.617 -0.677 . . . . 0.0 109.254 -179.386 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.08 88.3 0.1 Allowed Pre-proline 0 N--CA 1.503 2.214 0 O-C-N 121.111 -0.993 . . . . 0.0 110.346 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.615 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 36.0 Cg_endo -77.4 58.15 6.19 Favored 'Trans proline' 0 C--N 1.311 -1.399 0 C-N-CA 122.421 2.081 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 mm -136.6 -69.23 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 120.948 -1.095 . . . . 0.0 109.745 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.01 -61.37 2.36 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.223 -0.923 . . . . 0.0 109.875 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -52.49 -33.89 46.8 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.78 -0.575 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.944 ' HA ' HD21 ' A' ' 70' ' ' LEU . 44.8 t -63.1 -47.25 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 120.843 -1.16 . . . . 0.0 108.388 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -67.0 -38.52 86.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.88 -46.04 91.14 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.355 -0.841 . . . . 0.0 109.211 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.558 HD13 HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -60.43 -48.43 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.31 -0.869 . . . . 0.0 108.82 179.189 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.99 72.52 Favored Glycine 0 N--CA 1.497 2.729 0 N-CA-C 108.769 -1.732 . . . . 0.0 108.769 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.407 ' CG2' ' C4 ' ' B' ' 17' ' ' ' G' . 60.5 mt -58.71 -41.73 83.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.326 -1.102 . . . . 0.0 109.101 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.588 ' HE3' ' N7 ' ' B' ' 17' ' ' ' G' . 0.0 OUTLIER -45.89 -45.85 15.54 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.672 -0.643 . . . . 0.0 110.586 179.575 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -106.73 18.59 21.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.11 -0.994 . . . . 0.0 110.276 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.24 51.84 5.3 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.887 0.851 . . . . 0.0 109.389 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.553 ' HG2' ' HA3' ' A' ' 47' ' ' GLY . 27.7 mtt -124.64 119.36 28.79 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.37 -0.832 . . . . 0.0 110.066 -179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -67.66 135.4 52.76 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.201 -0.937 . . . . 0.0 109.8 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.792 HG11 HG12 ' A' ' 13' ' ' VAL . 58.8 t -108.37 111.38 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.507 -0.746 . . . . 0.0 109.684 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.54 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 11.3 m-70 -132.25 112.86 12.6 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.918 -1.114 . . . . 0.0 110.448 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 44' ' ' CYS . 89.3 m-85 -85.47 173.13 10.47 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.137 -0.977 . . . . 0.0 110.663 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER 178.53 145.12 0.13 Allowed 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.652 -0.655 . . . . 0.0 109.458 179.752 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.699 ' HB ' ' CG ' ' A' ' 32' ' ' GLU . 59.2 t -89.41 -2.77 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.339 0 O-C-N 120.746 -1.221 . . . . 0.0 110.812 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 43' ' ' ALA . 5.5 mt 73.7 -37.9 0.39 Allowed 'General case' 0 N--CA 1.511 2.595 0 O-C-N 121.344 -0.848 . . . . 0.0 110.433 179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 3.5 ttp180 -159.27 174.53 14.65 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.544 -0.722 . . . . 0.0 110.269 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 3.1 mm-40 66.49 -103.88 0.09 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.913 -0.492 . . . . 0.0 109.942 179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.699 ' CG ' ' HB ' ' A' ' 28' ' ' VAL . 41.1 mt-10 59.81 -175.03 0.1 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.187 -0.945 . . . . 0.0 110.049 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.596 ' HA3' ' HB3' ' A' ' 37' ' ' MET . . . 178.53 153.81 11.89 Favored Glycine 0 N--CA 1.499 2.84 0 O-C-N 120.632 -1.292 . . . . 0.0 110.305 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -76.17 -73.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.609 2.206 . . . . 0.0 110.727 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' O ' " H1'" ' B' ' 3' ' ' ' A' . . . -77.7 -57.65 3.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.031 -1.043 . . . . 0.0 109.332 179.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -114.19 -163.58 0.88 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.304 -0.873 . . . . 0.0 109.612 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.596 ' HB3' ' HA3' ' A' ' 33' ' ' GLY . 1.1 tpt 66.08 49.26 1.59 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.35 -0.844 . . . . 0.0 111.439 179.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.502 ' NZ ' " O2'" ' B' ' 3' ' ' ' A' . 4.2 mtmt -113.85 73.04 0.8 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.511 -1.368 . . . . 0.0 109.851 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.528 ' HA ' ' HB2' ' A' ' 61' ' ' SER . 1.4 m-80 -159.92 -161.08 0.86 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.421 -0.8 . . . . 0.0 108.913 -179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.578 ' HA ' ' HB2' ' A' ' 56' ' ' ASN . 8.2 m-30 84.05 -172.33 0.02 OUTLIER 'General case' 0 N--CA 1.51 2.565 0 CA-C-O 121.817 0.817 . . . . 0.0 112.154 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.661 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -46.75 123.51 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.51 2.556 0 O-C-N 121.709 -0.619 . . . . 0.0 111.171 -178.094 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.56 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 0.2 OUTLIER -115.31 130.71 56.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.043 -1.036 . . . . 0.0 109.082 178.466 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.784 ' HB3' HD21 ' A' ' 29' ' ' LEU . . . -121.71 139.34 53.7 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.022 -1.049 . . . . 0.0 109.747 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 52.5 t -121.37 149.14 43.41 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.168 -0.957 . . . . 0.0 109.3 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.883 HG13 HG22 ' A' ' 50' ' ' VAL . 11.7 tt -122.56 125.58 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.468 HG22 HG22 ' A' ' 24' ' ' VAL . 96.1 t -134.17 95.16 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.483 -0.76 . . . . 0.0 109.722 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.553 ' HA3' ' HG2' ' A' ' 22' ' ' MET . . . 67.77 -84.19 0.16 Allowed Glycine 0 N--CA 1.501 2.996 0 O-C-N 121.187 -0.946 . . . . 0.0 110.875 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 m -123.03 -18.69 6.31 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.303 -1.116 . . . . 0.0 111.265 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.0 pt -92.75 131.72 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.787 -1.195 . . . . 0.0 109.693 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.94 HG12 ' H ' ' A' ' 51' ' ' THR . 3.3 t -131.89 -179.06 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 120.926 -1.109 . . . . 0.0 110.761 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.94 ' H ' HG12 ' A' ' 50' ' ' VAL . 9.4 m 82.26 161.95 0.14 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -177.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.838 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 0.5 OUTLIER -145.38 -76.89 0.21 Allowed 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 117.638 -1.625 . . . . 0.0 110.961 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 171.52 161.81 22.75 Favored Glycine 0 N--CA 1.498 2.785 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.661 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 11.1 mp0 -69.73 107.75 3.61 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.262 -1.14 . . . . 0.0 111.013 -178.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.551 ' HA2' ' HD2' ' A' ' 64' ' ' ARG . . . -97.14 76.08 0.67 Allowed Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 178.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.578 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . 51.7 t30 -135.19 119.23 17.5 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.045 -1.268 . . . . 0.0 110.667 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 58' ' ' LYS . . . 160.76 75.14 0.02 OUTLIER Glycine 0 N--CA 1.496 2.692 0 C-N-CA 119.681 -1.247 . . . . 0.0 110.925 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 57' ' ' GLY . 8.1 mttt 69.32 -67.46 0.22 Allowed 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.496 -1.002 . . . . 0.0 110.789 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.58 71.99 1.47 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.091 -1.005 . . . . 0.0 109.955 -179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.618 HG13 ' HB2' ' A' ' 64' ' ' ARG . 1.8 t -134.58 159.77 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.411 -0.806 . . . . 0.0 109.136 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 0.8 OUTLIER 91.47 120.97 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-O 121.847 0.832 . . . . 0.0 109.021 -179.628 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' H ' HG21 ' A' ' 42' ' ' THR . 68.5 tttt 79.64 11.41 1.28 Allowed 'General case' 0 N--CA 1.509 2.51 0 CA-C-O 122.104 0.954 . . . . 0.0 108.635 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.84 -68.07 0.19 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.618 ' HB2' HG13 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -48.97 -45.73 42.53 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.404 0.621 . . . . 0.0 110.004 177.166 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.838 ' HB1' ' HG3' ' A' ' 52' ' ' GLU . . . -58.17 -50.1 74.71 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.757 0.789 . . . . 0.0 109.864 -179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 9' ' ' PRO . . . -59.17 -46.17 89.11 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -0.981 . . . . 0.0 110.649 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' OE1' ' HG3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -55.17 -47.13 75.61 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.142 -0.974 . . . . 0.0 109.645 179.779 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 72' ' ' GLU . 2.7 ttpm? -62.45 -49.12 76.67 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.51 -0.744 . . . . 0.0 109.545 179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -40.97 91.86 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.098 -1.001 . . . . 0.0 109.51 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' A' ' 13' ' ' VAL . 9.1 mt -65.45 -55.43 18.01 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.206 -0.934 . . . . 0.0 109.877 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 68' ' ' LYS . 9.9 p -58.05 -34.61 49.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.316 -0.865 . . . . 0.0 109.642 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 1.0 OUTLIER -69.02 -55.4 10.94 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.079 -1.013 . . . . 0.0 109.535 178.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 73' ' ' LEU . 77.8 mt -61.54 -30.68 70.8 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.147 -0.97 . . . . 0.0 110.548 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -85.91 -11.45 53.17 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.931 -1.106 . . . . 0.0 110.565 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.505 ' O ' ' HE2' ' A' ' 75' ' ' LYS . 0.4 OUTLIER -112.72 -21.97 10.95 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.066 -1.022 . . . . 0.0 110.522 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 117.473 -1.251 . . . . 0.0 110.987 179.716 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.034 0 C5'-C4'-C3' 111.143 -2.904 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.943 0 C5'-C4'-C3' 111.161 -2.893 . 0.287 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.502 " O2'" ' NZ ' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.428 -2.051 0 C3'-C2'-C1' 104.538 3.376 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 O4'-C1'-N19 111.382 3.182 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.163 0 O4'-C1'-N19 110.982 2.782 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.121 0 C5'-C4'-C3' 111.209 -2.861 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.916 0 O4'-C1'-N19 111.053 2.853 . 0.361 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.438 " H2'" ' C8 ' ' B' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.017 0 O4'-C1'-N19 110.995 2.795 . 0.521 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . 0.438 ' C8 ' " H2'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.085 0 O4'-C1'-N19 111.037 2.837 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.422 ' C6 ' " H2'" ' B' ' 9' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.134 0 C5'-C4'-C3' 111.273 -2.818 . 0.541 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.08 0 C5'-C4'-C3' 111.08 -2.947 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.421 " H2'" ' C6 ' ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.172 0 O4'-C1'-N19 111.196 2.996 . 0.12 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.421 ' C6 ' " H2'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.857 0 C5'-C4'-C3' 110.973 -3.018 . 0.092 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.696 HO2' ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 C3'-C2'-C1' 104.397 3.218 . 0.228 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.425 " O2'" ' NZ ' ' A' ' 19' ' ' LYS . . . . . . . . 0 P--O5' 1.613 1.961 0 O4'-C1'-N19 111.771 3.571 . 0.0 OUTLIER '7D dist 1z' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.696 ' H5 ' HO2' ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.431 -1.81 0 C5'-C4'-C3' 111.109 -2.927 . 0.01 2z . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.649 ' N3 ' " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.169 0 C5'-C4'-C3' 110.948 -3.035 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.731 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.432 -1.763 0 C5'-C4'-C3' 110.728 -3.181 . 0.029 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.731 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.216 0 C5'-C4'-C3' 111.103 -2.931 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.934 0 C5'-C4'-C3' 111.143 -2.905 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.542 " H2'" " O4'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.026 0 C5'-C4'-C3' 111.171 -2.886 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.542 " O4'" " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.094 0 C5'-C4'-C3' 111.17 -2.887 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.854 0 C5'-C4'-C3' 111.234 -2.844 . 0.303 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.986 0 O4'-C1'-N19 110.971 2.771 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.416 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.983 0 O4'-C1'-N19 111.043 2.843 . 0.269 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.416 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.056 0 O4'-C1'-N19 110.998 2.798 . 0.41 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.06 0 O4'-C1'-N19 111.038 2.838 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.925 0 C5'-C4'-C3' 111.198 -2.868 . 0.224 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.559 " H2'" ' C6 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.976 0 O4'-C1'-N19 111.153 2.953 . 0.288 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.559 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.977 0 C5'-C4'-C3' 111.167 -2.889 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.06 -75.79 0.14 Allowed 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 -176.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.45 129.09 36.73 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.966 -1.084 . . . . 0.0 108.869 178.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.79 -122.03 0.59 Allowed Glycine 0 N--CA 1.499 2.834 0 C-N-CA 119.435 -1.364 . . . . 0.0 111.578 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 t70 64.91 -162.63 0.27 Allowed 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 23.7 ttpt -154.86 38.81 0.42 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.689 -1.257 . . . . 0.0 109.606 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 31.7 pttt 176.91 -141.38 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -105.15 135.96 19.24 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 120.765 -1.209 . . . . 0.0 108.723 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HG2' ' HB3' ' A' ' 66' ' ' ALA . 34.8 Cg_endo -73.67 58.38 3.91 Favored 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 122.472 2.115 . . . . 0.0 111.51 -179.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.01 -53.09 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 121.108 -0.995 . . . . 0.0 109.468 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 t -48.3 -63.49 1.06 Allowed 'General case' 0 N--CA 1.505 2.304 0 O-C-N 121.32 -0.862 . . . . 0.0 110.578 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' O ' HG12 ' A' ' 16' ' ' ILE . 11.8 mt-30 -50.6 -40.36 52.47 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.266 -0.896 . . . . 0.0 110.478 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.556 HG22 HD21 ' A' ' 70' ' ' LEU . 98.2 t -59.53 -44.3 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 120.875 -1.14 . . . . 0.0 108.16 178.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.447 ' O ' HD12 ' A' ' 18' ' ' ILE . 17.6 m-70 -66.21 -43.85 85.53 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.497 ' HG2' " H2'" ' B' ' 15' ' ' ' U' . 11.0 mt-10 -56.89 -44.34 82.22 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.53 -0.731 . . . . 0.0 109.107 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 12' ' ' GLN . 36.8 mm -70.23 -40.39 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.049 -1.032 . . . . 0.0 109.038 178.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.524 ' HA3' HG23 ' A' ' 24' ' ' VAL . . . -59.25 -50.49 67.22 Favored Glycine 0 N--CA 1.499 2.864 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 18' ' ' ILE . 4.7 mt -80.43 52.53 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.424 -1.045 . . . . 0.0 108.623 178.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -155.81 -54.65 0.09 Allowed 'General case' 0 C--N 1.295 -1.761 0 O-C-N 120.995 -1.066 . . . . 0.0 108.696 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -93.51 29.63 1.94 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.497 -0.752 . . . . 0.0 109.196 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 t30 53.9 52.38 13.07 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.351 -0.843 . . . . 0.0 110.147 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.65 ' HB3' HG22 ' A' ' 46' ' ' VAL . 45.2 mtm -126.59 112.14 15.16 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.981 -1.074 . . . . 0.0 110.538 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -66.25 119.8 12.14 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.11 -0.994 . . . . 0.0 109.226 179.023 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.524 HG23 ' HA3' ' A' ' 17' ' ' GLY . 70.6 t -99.49 110.83 27.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.035 0 O-C-N 121.413 -0.804 . . . . 0.0 109.969 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.683 ' HB2' HG22 ' A' ' 45' ' ' ILE . 9.9 m-70 -131.71 127.03 35.99 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.987 -1.07 . . . . 0.0 109.965 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -93.86 144.18 25.67 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.24 -0.912 . . . . 0.0 109.671 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -150.89 128.6 11.57 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.163 -0.96 . . . . 0.0 110.481 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.2 t -87.24 138.59 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 120.943 -1.098 . . . . 0.0 108.81 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 43' ' ' ALA . 8.3 mt -74.69 -55.55 5.75 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.171 -0.956 . . . . 0.0 109.8 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -173.12 156.46 3.23 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.342 -0.849 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -112.24 157.56 20.77 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.66 ' HG3' ' HB2' ' A' ' 37' ' ' MET . 0.0 OUTLIER -67.92 166.61 15.32 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.091 -1.006 . . . . 0.0 110.348 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.76 -64.49 1.25 Allowed Glycine 0 N--CA 1.501 2.975 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -79.83 -174.39 2.25 Favored 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 122.379 2.053 . . . . 0.0 110.632 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -86.03 31.72 0.63 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.777 -1.202 . . . . 0.0 109.899 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.504 ' O ' ' C ' ' A' ' 37' ' ' MET . 30.9 m170 -106.63 -169.04 1.5 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.144 -0.973 . . . . 0.0 109.358 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.66 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 71.7 mtm 21.84 70.49 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.605 0 CA-C-O 121.707 0.765 . . . . 0.0 111.658 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -73.47 82.53 1.46 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.014 -1.053 . . . . 0.0 109.887 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.26 128.0 42.35 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.351 -0.843 . . . . 0.0 109.698 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -109.53 92.64 4.13 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.071 -1.018 . . . . 0.0 110.365 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.494 HG23 ' HG2' ' A' ' 54' ' ' GLU . 1.4 mp -82.32 108.3 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.232 -0.917 . . . . 0.0 109.66 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -116.37 130.91 57.02 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.892 -1.13 . . . . 0.0 109.357 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -109.64 155.63 21.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.306 -0.871 . . . . 0.0 109.929 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 5.6 t -133.79 139.63 46.42 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.103 -0.998 . . . . 0.0 109.843 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.683 HG22 ' HB2' ' A' ' 25' ' ' HIS . 16.9 tt -110.55 133.05 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.65 HG22 ' HB3' ' A' ' 22' ' ' MET . 9.8 p -131.91 109.7 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 CA-C-O 121.841 0.829 . . . . 0.0 109.45 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.27 -106.28 0.89 Allowed Glycine 0 N--CA 1.501 2.995 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.52 23.4 12.4 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.314 -1.11 . . . . 0.0 110.331 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.8 151.51 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.026 -1.046 . . . . 0.0 109.809 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG22 HG13 ' A' ' 45' ' ' ILE . 1.6 t -128.18 149.59 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.036 -1.04 . . . . 0.0 109.322 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 38.7 p -141.97 126.87 18.24 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.141 -0.974 . . . . 0.0 110.353 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 14.2 mt-10 -94.38 149.17 21.5 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.274 -0.891 . . . . 0.0 110.388 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.64 108.66 0.65 Allowed Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' HG2' HG23 ' A' ' 41' ' ' ILE . 5.5 mt-10 -81.17 79.57 7.8 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.406 -1.056 . . . . 0.0 110.173 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.62 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -78.81 166.34 51.92 Favored Glycine 0 N--CA 1.501 3.003 0 O-C-N 120.809 -1.182 . . . . 0.0 110.721 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -117.11 -58.24 2.08 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.266 -1.137 . . . . 0.0 109.702 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.0 151.79 52.58 Favored Glycine 0 N--CA 1.499 2.851 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -36.86 -56.22 0.87 Allowed 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.943 -0.739 . . . . 0.0 111.893 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.5 pttt -103.44 32.54 3.76 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.748 -1.22 . . . . 0.0 110.672 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.0 t -95.79 -36.12 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 120.984 -1.072 . . . . 0.0 109.711 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.62 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 34.2 p -58.25 -55.19 38.18 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.275 -0.891 . . . . 0.0 109.613 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -54.49 -37.33 65.16 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.441 -0.787 . . . . 0.0 109.421 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -64.98 0.74 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.36 -0.838 . . . . 0.0 109.44 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -35.81 73.7 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.427 -0.796 . . . . 0.0 110.53 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.37 -49.05 75.38 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.983 -1.073 . . . . 0.0 108.79 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' HB3' ' HG2' ' A' ' 9' ' ' PRO . . . -68.0 -39.94 83.11 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.564 -0.71 . . . . 0.0 109.241 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -50.3 -56.01 13.04 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.522 ' HG3' ' HG3' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -59.17 -49.67 76.97 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.084 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.446 ' CE ' ' HB ' ' A' ' 46' ' ' VAL . 9.2 ttm -50.52 -49.44 55.75 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.214 -0.929 . . . . 0.0 110.218 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.556 HD21 HG22 ' A' ' 13' ' ' VAL . 43.9 mt -70.74 -43.04 69.68 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.886 -1.134 . . . . 0.0 110.345 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.53 -38.6 80.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.061 -1.025 . . . . 0.0 109.807 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' HG3' ' HG3' ' A' ' 68' ' ' LYS . 3.3 mm-40 -80.63 -40.55 25.44 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.079 -1.013 . . . . 0.0 109.203 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.601 HD11 HG11 ' A' ' 46' ' ' VAL . 14.9 mt -62.19 -36.02 80.63 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.425 -0.797 . . . . 0.0 109.86 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -71.46 -0.3 10.06 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.196 -0.94 . . . . 0.0 110.17 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 72' ' ' GLU . 1.1 mtmp? -95.95 -16.74 21.53 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.145 -0.972 . . . . 0.0 109.628 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 N--CA 1.485 1.324 0 O-C-N 121.463 -0.773 . . . . 0.0 110.079 -178.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.744 " H4'" ' OP1' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.336 3.136 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.744 ' OP1' " H4'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.899 0 P-O3'-C3' 123.756 3.38 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.405 ' P ' HO2' ' B' ' 2' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.275 0 O4'-C1'-N19 111.091 2.891 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.223 0 O4'-C1'-N19 111.058 2.858 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.931 0 C5'-C4'-C3' 111.227 -2.849 . 0.317 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.931 0 C5'-C4'-C3' 111.165 -2.89 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.905 0 C5'-C4'-C3' 111.077 -2.949 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.942 0 C5'-C4'-C3' 111.302 -2.799 . 0.105 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.108 0 O4'-C1'-N19 111.074 2.874 . 0.022 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.501 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.044 0 O4'-C1'-N19 110.944 2.744 . 0.284 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.43 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.041 0 O4'-C1'-N19 111.202 3.002 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.488 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.041 0 O4'-C1'-N19 111.055 2.855 . 0.027 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.662 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.004 0 C5'-C4'-C3' 111.247 -2.835 . 0.057 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.473 " H2'" ' C5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C3'-C2'-C1' 104.37 3.188 . 0.0 OUTLIER '7D dist 1m' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.561 " O5'" ' H6 ' ' B' ' 15' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.9 0 C5'-C4'-C3' 111.164 -2.891 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.473 ' C5 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.994 0 C5'-C4'-C3' 110.942 -3.039 . 0.108 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.468 ' C8 ' HG12 ' A' ' 18' ' ' ILE . . . . . . . . 0 P--O5' 1.613 2.03 0 C5'-C4'-C3' 111.184 -2.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.483 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.284 0 O4'-C1'-N19 110.926 2.726 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.483 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.038 0 C5'-C4'-C3' 111.17 -2.886 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.584 ' H8 ' ' OP2' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.197 0 C5'-C4'-C3' 111.175 -2.883 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.405 " H2'" ' C6 ' ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.099 0 O4'-C1'-N19 110.98 2.78 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.505 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.093 0 O4'-C1'-N19 111.204 3.004 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.032 0 C5'-C4'-C3' 111.259 -2.827 . 0.175 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.958 0 C5'-C4'-C3' 111.285 -2.81 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.477 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.08 0 O4'-C1'-N19 111.074 2.874 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.477 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.88 0 C5'-C4'-C3' 111.212 -2.858 . 0.416 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.104 0 O4'-C1'-N19 111.113 2.913 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.988 0 C5'-C4'-C3' 111.232 -2.845 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.473 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.047 0 O4'-C1'-N19 111.052 2.852 . 0.301 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.438 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.43 -1.937 0 O4'-C1'-N19 111.148 2.948 . 0.3 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.204 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -79.95 -131.03 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.064 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.476 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -120.37 36.99 4.38 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.87 -1.144 . . . . 0.0 108.967 178.635 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.87 -64.72 1.14 Allowed Glycine 0 N--CA 1.497 2.717 0 N-CA-C 108.642 -1.783 . . . . 0.0 108.642 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.88 121.75 11.91 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.832 -0.804 . . . . 0.0 108.923 178.866 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' A' ' 3' ' ' GLU . 25.5 mttt -145.62 -80.27 0.16 Allowed 'General case' 0 N--CA 1.503 2.175 0 O-C-N 120.727 -1.233 . . . . 0.0 110.692 -178.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' CE ' ' OG ' ' A' ' 8' ' ' SER . 0.0 OUTLIER 55.62 77.89 0.21 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.417 -0.802 . . . . 0.0 110.894 -179.721 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.49 ' OG ' ' CE ' ' A' ' 7' ' ' LYS . 0.9 OUTLIER 64.77 76.5 0.32 Allowed Pre-proline 0 N--CA 1.507 2.415 0 O-C-N 121.482 -0.761 . . . . 0.0 111.275 178.735 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 37.5 Cg_endo -79.85 104.67 1.72 Allowed 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 122.816 2.344 . . . . 0.0 111.154 179.418 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.65 -56.92 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.367 0 O-C-N 121.262 -0.899 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.45 ' OG ' ' N2 ' ' B' ' 18' ' ' ' G' . 0.1 OUTLIER -48.42 -48.29 37.3 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.005 -1.059 . . . . 0.0 110.805 -179.528 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.429 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 26.4 mt-30 -56.14 -43.78 78.57 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.964 -1.085 . . . . 0.0 109.512 179.531 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.779 HG22 HD11 ' A' ' 70' ' ' LEU . 48.1 t -62.14 -41.0 89.6 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.153 -0.967 . . . . 0.0 109.005 178.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.646 ' HA ' HG11 ' A' ' 24' ' ' VAL . 13.3 m-70 -64.12 -45.88 86.61 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.287 -0.883 . . . . 0.0 108.941 179.048 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 5.8 mm-40 -63.64 -48.8 75.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.704 -0.622 . . . . 0.0 110.368 179.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.509 HG12 ' HA ' ' A' ' 13' ' ' VAL . 46.2 pt -60.7 -33.13 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.656 -1.277 . . . . 0.0 109.507 179.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -71.17 -56.64 6.79 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 108.461 -1.856 . . . . 0.0 108.461 178.537 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -40.14 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -1.166 . . . . 0.0 109.387 178.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.578 ' NZ ' ' O2 ' ' B' ' 15' ' ' ' U' . 0.3 OUTLIER -54.68 -25.89 30.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.53 -0.731 . . . . 0.0 110.142 179.579 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -104.89 23.31 13.71 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.346 -0.846 . . . . 0.0 109.585 179.227 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 66.4 m-80 63.82 29.53 14.69 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.293 -0.88 . . . . 0.0 110.021 -179.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.51 ' CE ' HG22 ' A' ' 46' ' ' VAL . 24.8 mtp -107.73 131.23 54.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.087 -1.008 . . . . 0.0 110.063 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.432 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 5.1 p -72.54 119.01 16.16 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.232 -0.917 . . . . 0.0 109.881 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.74 HG22 HG23 ' A' ' 46' ' ' VAL . 12.5 t -115.7 106.63 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.39 -0.819 . . . . 0.0 109.595 179.733 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.67 ' HB2' HG22 ' A' ' 45' ' ' ILE . 52.9 m-70 -120.93 131.8 54.57 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.194 -0.941 . . . . 0.0 109.698 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.492 ' CE1' ' HB3' ' A' ' 44' ' ' CYS . 3.3 m-85 -121.92 108.97 14.06 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.479 -0.763 . . . . 0.0 110.047 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' ALA . 2.3 mmtt -150.59 172.19 15.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.92 -1.112 . . . . 0.0 109.942 179.582 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.86 131.46 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.724 -1.235 . . . . 0.0 109.688 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.077 HD23 ' HB2' ' A' ' 43' ' ' ALA . 1.2 pp -85.82 -21.36 28.15 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.603 -0.685 . . . . 0.0 110.687 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 31' ' ' GLU . 1.0 OUTLIER -175.9 144.34 0.61 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.982 -1.074 . . . . 0.0 109.995 -179.901 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -94.42 -162.66 0.96 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.317 -0.864 . . . . 0.0 109.679 179.544 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.521 ' C ' ' HD2' ' A' ' 34' ' ' PRO . 0.6 OUTLIER -65.49 -72.15 0.16 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.167 -0.958 . . . . 0.0 110.513 179.943 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.78 -59.74 0.45 Allowed Glycine 0 N--CA 1.501 2.995 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.521 ' HD2' ' C ' ' A' ' 32' ' ' GLU . 33.7 Cg_endo -76.22 83.23 2.04 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 C-N-CA 122.336 2.024 . . . . 0.0 112.129 -178.638 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 65.34 10.14 6.26 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.512 -0.743 . . . . 0.0 112.037 178.866 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.461 ' HB3' " H4'" ' B' ' 4' ' ' ' C' . 0.1 OUTLIER 55.49 88.25 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.412 0 O-C-N 121.15 -0.969 . . . . 0.0 110.235 178.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mmt -78.57 -88.33 0.05 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.943 -1.098 . . . . 0.0 110.502 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' CE ' " H4'" ' B' ' 3' ' ' ' A' . 1.5 mttt -173.27 32.12 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 O-C-N 121.295 -0.878 . . . . 0.0 111.057 -179.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -129.34 101.1 5.83 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.086 -1.009 . . . . 0.0 109.105 179.404 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 31' ' ' GLU . 5.1 m-85 -106.17 149.82 26.44 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.089 -1.007 . . . . 0.0 110.63 -179.328 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 41' ' ' ILE . 5.3 mp -116.6 105.75 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.365 -0.835 . . . . 0.0 109.438 179.802 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.524 ' O ' ' HA3' ' A' ' 53' ' ' GLY . 63.0 m -85.53 121.93 28.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.375 -0.828 . . . . 0.0 109.235 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 1.077 ' HB2' HD23 ' A' ' 29' ' ' LEU . . . -86.81 112.5 21.77 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.876 -1.14 . . . . 0.0 108.797 179.34 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.581 ' HB2' ' HE3' ' A' ' 69' ' ' MET . 25.9 m -117.19 131.23 56.91 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 120.775 -1.203 . . . . 0.0 109.175 -179.617 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.67 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.8 tt -119.43 124.58 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.864 -1.148 . . . . 0.0 109.494 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.74 HG23 HG22 ' A' ' 24' ' ' VAL . 12.7 p -147.98 66.45 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 CA-C-O 121.965 0.888 . . . . 0.0 109.759 -179.299 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.4 -82.23 0.01 OUTLIER Glycine 0 N--CA 1.505 3.295 0 O-C-N 121.174 -0.954 . . . . 0.0 111.943 179.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.531 ' HB3' HD21 ' A' ' 73' ' ' LEU . 8.0 t -76.46 -22.89 54.0 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.311 -1.111 . . . . 0.0 111.591 -178.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.735 HG21 ' HG2' ' A' ' 69' ' ' MET . 39.5 mm -119.49 148.73 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 O-C-N 120.621 -1.3 . . . . 0.0 110.982 -179.169 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.067 HG12 HG22 ' A' ' 51' ' ' THR . 55.3 t -137.83 160.79 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.547 -0.721 . . . . 0.0 109.322 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 1.067 HG22 HG12 ' A' ' 50' ' ' VAL . 1.8 t 21.09 -108.07 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.245 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.851 178.61 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.637 ' H ' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER 40.2 22.43 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 178.563 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.524 ' HA3' ' O ' ' A' ' 42' ' ' THR . . . -93.76 120.13 6.2 Favored Glycine 0 N--CA 1.491 2.308 0 C-N-CA 119.601 -1.285 . . . . 0.0 110.326 -179.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.78 -136.86 0.11 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.331 -1.099 . . . . 0.0 108.787 179.495 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.677 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . 117.97 168.18 14.36 Favored Glycine 0 N--CA 1.497 2.725 0 O-C-N 120.995 -1.066 . . . . 0.0 111.199 179.436 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 2.6 m-20 -108.9 -8.47 15.26 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.723 -0.869 . . . . 0.0 110.094 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.17 -125.78 6.78 Favored Glycine 0 N--CA 1.499 2.89 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -72.63 67.96 0.8 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.297 -1.119 . . . . 0.0 110.092 -179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -178.4 -50.95 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 179.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -153.37 147.56 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 CA-C-O 121.821 0.82 . . . . 0.0 109.385 178.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.677 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.2 OUTLIER 170.03 -76.83 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.266 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.724 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.494 ' HA ' HG21 ' A' ' 42' ' ' THR . 15.8 mtmt -50.57 -43.01 56.23 Favored 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 178.273 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -63.43 -67.65 0.41 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.636 -0.665 . . . . 0.0 109.653 179.142 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.51 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -47.89 -47.5 31.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.676 -0.64 . . . . 0.0 110.247 179.707 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.505 ' CB ' ' CA ' ' A' ' 53' ' ' GLY . . . -58.95 -44.3 91.4 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.335 -0.853 . . . . 0.0 109.059 179.442 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.436 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . . . -64.29 -37.02 86.0 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.213 -0.929 . . . . 0.0 109.857 179.403 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.555 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.9 mt-10 -53.86 -44.8 70.68 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.801 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -58.45 -47.16 84.93 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.396 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.735 ' HG2' HG21 ' A' ' 49' ' ' ILE . 9.0 mtt -58.99 -55.19 38.33 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.527 -0.733 . . . . 0.0 110.562 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.779 HD11 HG22 ' A' ' 13' ' ' VAL . 25.8 mt -61.02 -46.42 90.82 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.129 -0.982 . . . . 0.0 110.888 -179.299 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 67' ' ' GLU . 75.5 t -52.62 -47.9 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 O-C-N 121.117 -0.989 . . . . 0.0 110.461 -179.401 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -77.46 -48.38 17.27 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.409 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 48' ' ' SER . 97.4 mt -58.42 -32.18 68.42 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.109 -0.994 . . . . 0.0 111.01 -179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -85.35 7.03 23.91 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.87 -1.144 . . . . 0.0 109.845 179.228 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.94 1.06 8.02 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.23 -0.919 . . . . 0.0 110.855 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 117.847 -1.073 . . . . 0.0 109.983 -179.808 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 C5'-C4'-C3' 111.268 -2.822 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.186 0 C5'-C4'-C3' 111.322 -2.785 . 0.207 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.459 " H4'" ' CE ' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C1' 1.437 1.935 0 C5'-C4'-C3' 111.125 -2.917 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.461 " H4'" ' HB3' ' A' ' 36' ' ' HIS . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C5'-C4'-C3' 111.458 -2.695 . 0.182 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.94 0 C5'-C4'-C3' 111.15 -2.9 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.966 0 C5'-C4'-C3' 110.899 -3.067 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.984 0 C5'-C4'-C3' 110.955 -3.03 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.43 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.98 0 C5'-C4'-C3' 111.291 -2.806 . 0.272 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.204 0 C5'-C4'-C3' 111.31 -2.793 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.422 " H2'" " O4'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.962 0 C5'-C4'-C3' 111.186 -2.876 . 0.203 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.788 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.03 0 C5'-C4'-C3' 111.31 -2.793 . 0.043 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.788 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.61 1.739 0 O4'-C1'-N19 110.765 2.565 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.507 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.079 0 O4'-C1'-N19 111.937 3.737 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.559 " H2'" ' C5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.313 0 C3'-C2'-C1' 104.708 3.565 . 0.153 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.578 ' O2 ' ' NZ ' ' A' ' 19' ' ' LYS . . . . . . . . 0 P--O5' 1.614 2.148 0 C5'-C4'-C3' 111.635 -2.576 . 0.049 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.559 ' C5 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.134 0 C5'-C4'-C3' 111.325 -2.784 . 0.614 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.755 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.471 0 O4'-C1'-N19 111.077 2.877 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.755 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.284 0 C5'-C4'-C3' 111.399 -2.734 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.507 ' H21' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.022 0 C5'-C4'-C3' 111.045 -2.97 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.507 " H1'" ' H21' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.026 0 C5'-C4'-C3' 111.02 -2.987 . 0.073 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.011 0 C5'-C4'-C3' 111.182 -2.879 . 0.101 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.439 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.964 0 C5'-C4'-C3' 111.307 -2.796 . 0.363 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.09 0 C5'-C4'-C3' 111.398 -2.735 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.149 0 C5'-C4'-C3' 111.22 -2.854 . 0.012 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.018 0 O4'-C1'-N19 111.165 2.965 . 0.296 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.029 0 C5'-C4'-C3' 111.36 -2.76 . 0.426 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.154 0 O4'-C1'-N19 111.035 2.835 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.47 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.097 0 O4'-C1'-N19 111.104 2.904 . 0.222 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.103 0 C5'-C4'-C3' 111.16 -2.894 . 0.211 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C5'-C4'-C3' 111.16 -2.893 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.501 2.081 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.89 -156.21 0.7 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.282 -176.516 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 55.06 68.54 0.85 Allowed 'General case' 0 N--CA 1.501 2.103 0 CA-C-O 122.064 0.935 . . . . 0.0 109.997 -179.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.86 95.43 0.12 Allowed Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.325 -1.51 . . . . 0.0 109.325 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.46 ' OD1' ' NZ ' ' A' ' 59' ' ' LYS . 54.7 m-20 -59.89 139.27 57.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.517 -0.99 . . . . 0.0 110.318 -179.535 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -127.44 -42.77 1.64 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.338 -0.851 . . . . 0.0 110.486 -179.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -136.15 147.29 47.66 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.076 -1.015 . . . . 0.0 109.931 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.7 t -86.05 134.37 39.12 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 121.257 -0.902 . . . . 0.0 110.014 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.642 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.9 Cg_endo -75.53 -45.5 0.25 Allowed 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.25 1.967 . . . . 0.0 109.914 179.079 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' A' ' 62' ' ' LYS . 10.0 mt -57.65 -47.35 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.411 -0.805 . . . . 0.0 109.801 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 p -61.41 -52.73 63.38 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.946 -1.096 . . . . 0.0 109.326 179.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -57.84 -42.95 85.44 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.135 -0.978 . . . . 0.0 109.203 179.275 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.827 ' HA ' HD21 ' A' ' 70' ' ' LEU . 98.4 t -63.29 -42.42 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 177.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -58.08 -41.72 84.06 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -59.82 -57.89 10.94 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.7 mm -46.43 -43.4 5.64 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 121.331 -0.856 . . . . 0.0 110.195 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.05 -51.45 10.28 Favored Glycine 0 N--CA 1.498 2.799 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 179.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 18' ' ' ILE . 32.8 mm -79.39 50.87 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 122.134 0.968 . . . . 0.0 109.481 179.264 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -148.87 -45.11 0.15 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.563 -1.336 . . . . 0.0 109.562 179.599 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 32.6 mtm180 -93.28 -72.2 0.62 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 178.674 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER 173.27 55.53 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.633 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.561 ' HB3' HG12 ' A' ' 46' ' ' VAL . 22.5 mtt -143.4 130.35 20.55 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.845 -1.159 . . . . 0.0 110.95 -179.113 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -74.98 153.96 38.3 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.312 -0.867 . . . . 0.0 109.315 179.136 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.4 t -128.21 106.71 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.217 -0.927 . . . . 0.0 109.376 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.844 ' HB2' HG22 ' A' ' 45' ' ' ILE . 70.6 m-70 -116.63 121.24 41.13 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.071 -1.018 . . . . 0.0 110.104 -179.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 10.4 m-85 -114.12 134.88 54.59 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.401 -0.812 . . . . 0.0 109.262 179.42 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -154.93 132.77 11.47 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.99 -1.069 . . . . 0.0 110.703 -179.617 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.651 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 74.1 t -79.45 146.38 7.92 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.128 -0.982 . . . . 0.0 109.067 179.027 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.54 HD12 HG12 ' A' ' 41' ' ' ILE . 7.5 mt -91.43 -59.07 2.24 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.298 -0.876 . . . . 0.0 109.501 -179.772 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' HG22 ' A' ' 41' ' ' ILE . 5.4 ttt180 179.23 -168.54 0.09 Allowed 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.415 0.626 . . . . 0.0 110.474 179.58 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.55 ' HG3' ' CZ ' ' A' ' 40' ' ' PHE . 11.2 mp0 -109.44 161.46 15.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.642 -0.661 . . . . 0.0 110.098 -178.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.478 ' CB ' ' HG2' ' A' ' 38' ' ' LYS . 6.0 mm-40 -77.63 64.13 2.87 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.073 -1.017 . . . . 0.0 109.878 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.46 -159.02 14.08 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -179.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -77.12 -90.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 122.31 2.007 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.7 100.28 2.82 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.586 -1.321 . . . . 0.0 109.979 -179.654 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.512 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . 7.9 t60 -173.86 79.36 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.976 -1.078 . . . . 0.0 110.52 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.91 82.99 0.06 Allowed 'General case' 0 N--CA 1.504 2.264 0 O-C-N 121.34 -0.85 . . . . 0.0 110.753 179.589 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.512 ' NZ ' ' O ' ' A' ' 36' ' ' HIS . 4.2 mttp -150.15 144.29 25.59 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.388 -0.82 . . . . 0.0 110.169 -179.539 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -82.71 172.3 13.06 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.516 -0.74 . . . . 0.0 109.538 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.55 ' CZ ' ' HG3' ' A' ' 31' ' ' GLU . 1.5 m-85 -105.29 -172.83 2.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.229 -0.919 . . . . 0.0 109.657 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 41' ' ' ILE . 3.7 tp -153.3 108.8 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.061 -1.025 . . . . 0.0 109.578 179.544 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.651 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 90.8 m -110.09 121.05 44.35 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.058 -1.026 . . . . 0.0 109.682 -179.414 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -93.87 152.12 19.1 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.263 -0.898 . . . . 0.0 109.483 179.568 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.562 ' HB2' ' HE3' ' A' ' 69' ' ' MET . 25.0 p -144.51 143.3 30.78 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.979 . . . . 0.0 109.439 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.844 HG22 ' HB2' ' A' ' 25' ' ' HIS . 7.7 tt -126.35 142.09 43.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.074 -1.016 . . . . 0.0 111.03 -179.336 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.71 HG22 ' HE1' ' A' ' 69' ' ' MET . 1.7 t -105.97 171.28 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.628 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' VAL . . . -37.07 -46.36 1.25 Allowed Glycine 0 N--CA 1.508 3.484 0 O-C-N 121.313 -0.867 . . . . 0.0 111.262 179.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.9 p -141.99 38.37 1.61 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.083 -1.245 . . . . 0.0 110.294 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 24.4 mm -148.22 154.88 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.183 0 O-C-N 121.162 -0.961 . . . . 0.0 109.657 -179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.676 HG13 HG13 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -129.98 140.01 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 120.834 -1.166 . . . . 0.0 109.127 179.029 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.505 ' HB ' ' SG ' ' A' ' 44' ' ' CYS . 0.2 OUTLIER -146.34 163.68 34.8 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.236 -0.915 . . . . 0.0 109.967 -179.804 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -126.88 170.01 12.67 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.08 -1.013 . . . . 0.0 109.814 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.485 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -155.24 113.68 0.58 Allowed Glycine 0 N--CA 1.498 2.776 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -179.687 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -78.52 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.836 -0.802 . . . . 0.0 110.967 -179.752 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.629 ' HA3' ' CA ' ' A' ' 61' ' ' SER . . . 74.62 91.39 0.17 Allowed Glycine 0 N--CA 1.496 2.69 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -178.848 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' GLY . 4.1 t30 -32.92 -63.92 0.2 Allowed 'General case' 0 N--CA 1.508 2.452 0 O-C-N 121.758 -0.848 . . . . 0.0 111.549 -179.319 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' LYS . . . -177.97 147.38 8.03 Favored Glycine 0 N--CA 1.5 2.93 0 N-CA-C 110.062 -1.215 . . . . 0.0 110.062 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 59.96 -81.94 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.702 -0.881 . . . . 0.0 109.676 -179.661 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 61' ' ' SER . 12.6 tttt -95.0 -155.34 0.46 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.096 -1.003 . . . . 0.0 109.063 179.07 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 18.3 t 64.55 -63.16 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 121.323 -0.861 . . . . 0.0 110.446 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.685 ' OG ' ' NZ ' ' A' ' 62' ' ' LYS . 33.6 p -44.73 -64.37 0.71 Allowed 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.396 -0.815 . . . . 0.0 111.357 -179.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.685 ' NZ ' ' OG ' ' A' ' 61' ' ' SER . 2.9 mttp -61.14 -12.69 13.36 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.503 -0.748 . . . . 0.0 111.46 -179.136 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -60.38 1.53 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.848 -1.158 . . . . 0.0 109.232 178.928 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 20.9 tpp180 -56.55 -45.76 81.06 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.531 -0.73 . . . . 0.0 110.202 179.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.485 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -59.49 -47.33 85.93 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.299 -0.876 . . . . 0.0 109.45 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.693 ' HB1' HG21 ' A' ' 13' ' ' VAL . . . -66.98 -37.98 85.22 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.495 -0.753 . . . . 0.0 110.223 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -53.73 -50.95 64.84 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.269 -0.894 . . . . 0.0 110.222 -179.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' HG22 ' A' ' 71' ' ' VAL . 4.8 tttp -65.34 -41.24 94.11 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.148 -0.97 . . . . 0.0 109.867 179.528 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.71 ' HE1' HG22 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -63.73 -43.34 96.81 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.736 -1.228 . . . . 0.0 110.086 179.687 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.827 HD21 ' HA ' ' A' ' 13' ' ' VAL . 15.0 mt -60.5 -48.2 82.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.985 -1.072 . . . . 0.0 110.493 -179.681 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 68' ' ' LYS . 27.1 m -60.55 -28.36 42.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.893 -1.129 . . . . 0.0 109.395 179.309 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 -59.69 2.68 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.571 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.643 HD11 HG21 ' A' ' 46' ' ' VAL . 10.9 mp -54.64 -24.01 19.71 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.642 -0.661 . . . . 0.0 110.61 179.174 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -35.35 64.05 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.963 -1.086 . . . . 0.0 109.807 179.538 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -109.99 -31.06 7.52 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.131 -0.981 . . . . 0.0 110.583 179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.1 mt . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.723 -179.885 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.908 0 C5'-C4'-C3' 111.202 -2.865 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 0 C5'-C4'-C3' 110.917 -3.056 . 0.189 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 111.349 -2.768 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.164 0 C5'-C4'-C3' 111.401 -2.733 . 0.171 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.012 0 C5'-C4'-C3' 111.39 -2.74 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.067 0 C5'-C4'-C3' 111.286 -2.81 . 0.366 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.467 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.01 0 C5'-C4'-C3' 111.247 -2.836 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.467 ' C6 ' " H2'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.153 0 C5'-C4'-C3' 111.363 -2.758 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.091 0 O4'-C1'-N19 110.987 2.787 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.4 " O5'" ' H6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.12 0 C5'-C4'-C3' 111.359 -2.761 . 0.245 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.078 0 C5'-C4'-C3' 111.192 -2.872 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.427 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.075 0 O4'-C1'-N19 111.03 2.83 . 0.256 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.585 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.049 0 C5'-C4'-C3' 111.142 -2.905 . 0.155 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.586 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.537 0 C3'-C2'-C1' 104.426 3.251 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.46 " H4'" ' OP2' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.967 0 C5'-C4'-C3' 111.151 -2.899 . 0.12 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.586 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.043 0 C5'-C4'-C3' 111.174 -2.884 . 0.148 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.611 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.054 0 C5'-C4'-C3' 111.022 -2.985 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.547 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.141 0 C5'-C4'-C3' 111.205 -2.863 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.547 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.227 0 C5'-C4'-C3' 111.033 -2.978 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.988 0 C5'-C4'-C3' 111.042 -2.972 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.402 " H2'" " O4'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.969 0 C5'-C4'-C3' 111.083 -2.945 . 0.187 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.826 HO2' ' H8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.425 -2.325 0 C5'-C4'-C3' 110.879 -3.081 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.826 ' H8 ' HO2' ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.169 0 P-O3'-C3' 123.405 3.088 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.104 0 O4'-C1'-N19 111.142 2.942 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.124 0 C5'-C4'-C3' 111.272 -2.819 . 0.353 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.051 0 O4'-C1'-N19 111.029 2.829 . 0.07 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.939 0 C5'-C4'-C3' 111.285 -2.81 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.418 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.895 0 O4'-C1'-N19 111.02 2.82 . 0.199 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.113 0 C5'-C4'-C3' 111.336 -2.776 . 0.295 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.14 0 O4'-C1'-N19 111.241 3.041 . 0.087 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.686 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.53 142.82 47.23 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.406 -178.228 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.39 -60.85 2.06 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.603 -0.685 . . . . 0.0 110.466 -179.133 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.06 105.81 0.43 Allowed Glycine 0 N--CA 1.5 2.924 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -179.431 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.497 ' O ' ' NZ ' ' A' ' 7' ' ' LYS . 12.6 p-10 -88.8 -36.64 15.95 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.133 -1.216 . . . . 0.0 109.846 179.593 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 -170.84 0.91 Allowed 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.897 -1.127 . . . . 0.0 109.503 178.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.548 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -149.71 138.19 20.73 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.974 -1.079 . . . . 0.0 108.795 179.49 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.06 88.45 7.0 Favored Pre-proline 0 N--CA 1.498 1.931 0 O-C-N 121.307 -0.871 . . . . 0.0 110.527 -179.328 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.548 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 35.7 Cg_endo -76.67 -45.4 0.19 Allowed 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 122.248 1.965 . . . . 0.0 110.518 179.279 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.1 mt -49.91 -52.17 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.134 0 O-C-N 121.308 -0.87 . . . . 0.0 109.962 179.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.4 -62.32 1.86 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.381 -0.824 . . . . 0.0 109.448 179.491 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.421 ' O ' HG12 ' A' ' 16' ' ' ILE . 5.1 mt-30 -51.93 -38.58 56.88 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.53 -0.731 . . . . 0.0 110.321 179.791 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.705 HG22 HD21 ' A' ' 70' ' ' LEU . 39.1 t -60.52 -48.95 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 120.871 -1.143 . . . . 0.0 108.559 178.851 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.588 ' HA ' HG11 ' A' ' 24' ' ' VAL . 14.4 m-70 -64.11 -38.21 90.25 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.387 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 19.4 mt-10 -61.2 -55.48 31.68 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.68 -0.638 . . . . 0.0 109.795 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.445 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 48.8 pt -61.94 -34.48 63.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.019 -1.05 . . . . 0.0 110.571 -179.585 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.14 -49.33 72.36 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.494 HG12 " O4'" ' B' ' 17' ' ' ' G' . 1.3 mp -81.05 -33.98 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.394 -1.063 . . . . 0.0 110.468 -179.933 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -60.6 -19.42 57.73 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.719 -1.238 . . . . 0.0 110.544 179.789 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HD3' ' O ' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -115.9 -77.63 0.57 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.583 -0.698 . . . . 0.0 109.458 179.691 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 175.31 50.87 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.307 -0.871 . . . . 0.0 110.273 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.406 ' HA ' ' HA3' ' A' ' 47' ' ' GLY . 34.4 mtt -135.96 121.26 19.14 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.597 -1.314 . . . . 0.0 111.157 -179.412 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.445 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.9 OUTLIER -78.21 104.48 8.81 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.259 -0.901 . . . . 0.0 109.093 178.959 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.588 HG11 ' HA ' ' A' ' 14' ' ' HIS . 14.8 p -97.2 119.34 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.285 -0.884 . . . . 0.0 110.081 -179.434 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.751 ' HB2' HG22 ' A' ' 45' ' ' ILE . 22.2 m-70 -131.79 121.7 24.59 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.955 -1.091 . . . . 0.0 110.11 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 44' ' ' CYS . 68.3 m-85 -105.07 86.51 2.45 Favored 'General case' 0 N--CA 1.502 2.164 0 O-C-N 121.383 -0.823 . . . . 0.0 109.924 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -97.15 157.01 16.14 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.319 -0.863 . . . . 0.0 111.133 -179.449 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.3 t -106.36 160.89 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 6.8 mt -107.91 -68.32 0.91 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.94 -1.1 . . . . 0.0 109.991 -179.588 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 7.0 ttt-85 176.12 83.03 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 39' ' ' ASN . 1.9 mp0 -108.0 156.97 18.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.27 -0.893 . . . . 0.0 110.851 -178.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 59.2 -162.02 0.25 Allowed 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 121.627 0.727 . . . . 0.0 110.975 179.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.39 -64.91 0.58 Allowed Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 -179.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -81.72 14.1 2.28 Favored 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 122.681 2.254 . . . . 0.0 111.818 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . 53.05 22.82 2.65 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 120.999 -1.063 . . . . 0.0 110.936 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -127.8 15.0 6.95 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.108 -0.995 . . . . 0.0 110.512 -179.776 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 7.8 ttt -116.24 -39.77 3.36 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.866 -1.146 . . . . 0.0 110.019 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' HE3' " C4'" ' B' ' 3' ' ' ' A' . 0.7 OUTLIER 42.68 46.5 4.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.705 -0.622 . . . . 0.0 111.105 178.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' A' ' 56' ' ' ASN . 15.1 m-80 -148.77 137.24 21.17 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.287 -0.883 . . . . 0.0 109.847 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.412 ' C ' HG13 ' A' ' 41' ' ' ILE . 48.3 m-85 -123.13 153.12 40.42 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.224 -0.923 . . . . 0.0 110.678 -179.61 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.563 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 47.3 mt -146.97 84.27 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.296 -0.877 . . . . 0.0 109.759 180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.407 HG21 ' CD ' ' A' ' 62' ' ' LYS . 1.8 m -77.25 118.89 20.19 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 120.879 -1.138 . . . . 0.0 109.48 179.586 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.09 136.17 39.87 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.012 -1.055 . . . . 0.0 109.52 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 11.0 p -124.53 131.02 53.49 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.947 -1.096 . . . . 0.0 110.496 -179.644 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.751 HG22 ' HB2' ' A' ' 25' ' ' HIS . 12.7 tt -115.81 141.99 30.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.36 -0.838 . . . . 0.0 109.266 179.252 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' SER . 4.8 p -132.2 157.76 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.443 -0.786 . . . . 0.0 109.177 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 22' ' ' MET . . . -64.72 67.51 0.07 OUTLIER Glycine 0 N--CA 1.508 3.447 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 -179.331 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 46' ' ' VAL . 12.0 p 169.0 -38.0 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.873 -0.781 . . . . 0.0 109.879 -179.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.4 -178.28 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 O-C-N 121.059 -1.025 . . . . 0.0 110.762 -179.379 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.649 HG22 HG13 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -139.61 142.87 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.323 -0.861 . . . . 0.0 109.059 179.297 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.7 m -144.35 157.03 44.47 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.617 -0.677 . . . . 0.0 109.556 179.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 1.6 pm0 -93.49 132.16 38.03 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.798 -1.189 . . . . 0.0 109.862 179.557 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.703 ' HA3' ' CB ' ' A' ' 65' ' ' ALA . . . -96.58 81.29 0.74 Allowed Glycine 0 N--CA 1.49 2.251 0 N-CA-C 110.126 -1.19 . . . . 0.0 110.126 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -75.5 136.97 40.61 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.681 -0.893 . . . . 0.0 110.641 179.859 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.585 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -146.91 135.36 5.67 Favored Glycine 0 N--CA 1.499 2.86 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 178.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.573 ' O ' ' HA ' ' A' ' 39' ' ' ASN . 5.0 t-20 -50.17 -64.9 0.67 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.277 -1.131 . . . . 0.0 110.928 -178.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 59' ' ' LYS . . . 139.47 -30.06 2.44 Favored Glycine 0 N--CA 1.501 3.003 0 O-C-N 120.705 -1.247 . . . . 0.0 110.002 -179.486 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 12.9 tttp -66.32 74.39 0.09 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.383 -1.069 . . . . 0.0 109.381 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 58' ' ' LYS . 18.6 ttpt 79.58 0.55 2.21 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.581 -0.7 . . . . 0.0 110.364 -179.147 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.522 ' O ' ' HB3' ' A' ' 61' ' ' SER . 12.1 p -127.99 157.29 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 120.723 -1.236 . . . . 0.0 110.689 179.587 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.585 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 79.1 p 164.38 -90.99 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.238 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.027 179.475 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.41 ' N ' ' OG ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -55.66 -36.92 67.6 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.298 -0.876 . . . . 0.0 109.441 179.299 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -60.03 -61.74 2.38 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.385 -0.822 . . . . 0.0 108.836 179.036 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HG2' ' CG2' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -55.53 -30.55 60.91 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.516 -0.74 . . . . 0.0 109.856 179.116 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.703 ' CB ' ' HA3' ' A' ' 53' ' ' GLY . . . -67.65 -54.15 21.96 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 109.34 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.493 ' HA ' ' CE1' ' A' ' 26' ' ' PHE . . . -65.37 -40.64 93.81 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.323 -0.861 . . . . 0.0 109.466 179.306 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 71' ' ' VAL . 37.2 mt-10 -51.75 -47.71 63.97 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.317 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HE3' ' HG3' ' A' ' 54' ' ' GLU . 28.1 mttm -58.77 -56.67 19.23 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 4.7 ttm -49.2 -54.06 18.32 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.463 -0.773 . . . . 0.0 110.508 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.705 HD21 HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -61.56 -47.81 83.85 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.956 -1.09 . . . . 0.0 109.824 -179.873 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 67' ' ' GLU . 55.2 t -55.78 -41.45 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.071 -1.018 . . . . 0.0 109.189 178.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.47 -55.98 11.43 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.325 -0.86 . . . . 0.0 109.661 179.347 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.649 HD23 HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -62.83 -27.84 69.6 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.389 -0.82 . . . . 0.0 111.303 -179.303 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -85.79 6.21 29.02 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.715 -1.241 . . . . 0.0 110.547 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -132.26 3.19 3.95 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.065 -1.022 . . . . 0.0 111.228 -179.612 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 37.9 mt . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.33 -0.856 . . . . 0.0 110.053 -179.669 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.082 0 C5'-C4'-C3' 111.293 -2.805 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.139 0 C5'-C4'-C3' 110.949 -3.034 . 0.055 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.462 " C4'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C1' 1.438 2.036 0 O4'-C1'-N19 111.217 3.017 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.438 " O5'" ' H6 ' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.075 0 C5'-C4'-C3' 111.301 -2.799 . 0.272 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.857 0 C5'-C4'-C3' 111.269 -2.82 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.156 0 C5'-C4'-C3' 111.425 -2.716 . 0.016 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.838 0 C5'-C4'-C3' 110.925 -3.05 . 0.017 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.929 0 C5'-C4'-C3' 110.997 -3.002 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.962 0 C5'-C4'-C3' 111.217 -2.855 . 0.015 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.446 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.053 0 C5'-C4'-C3' 111.071 -2.952 . 0.172 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.682 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.047 0 O4'-C1'-N19 111.157 2.957 . 0.042 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.682 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.867 0 O4'-C1'-N19 111.217 3.017 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.475 " H2'" " O4'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.437 1.955 0 O4'-C1'-N19 111.952 3.752 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.551 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.299 0 C3'-C2'-C1' 104.235 3.038 . 0.327 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.844 0 O4'-C1'-N19 111.093 2.893 . 0.132 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.551 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.834 0 C5'-C4'-C3' 111.009 -2.994 . 0.276 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.69 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.959 0 C5'-C4'-C3' 110.918 -3.055 . 0.026 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.428 ' N1 ' ' O2 ' ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.124 0 C5'-C4'-C3' 111.084 -2.944 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 110.944 -3.038 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.454 ' C2 ' " H1'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.887 0 C5'-C4'-C3' 111.015 -2.99 . 0.027 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.428 ' C4 ' ' N2 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.011 0 C5'-C4'-C3' 111.272 -2.819 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.528 " H2'" ' C8 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 2.001 0 C5'-C4'-C3' 111.286 -2.809 . 0.309 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.528 ' C8 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.966 0 C5'-C4'-C3' 111.177 -2.882 . 0.303 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.125 0 C5'-C4'-C3' 111.375 -2.75 . 0.013 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.963 0 O4'-C1'-N19 111.03 2.83 . 0.397 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.075 0 C5'-C4'-C3' 111.224 -2.851 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.112 0 C5'-C4'-C3' 111.179 -2.88 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.424 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.997 0 C5'-C4'-C3' 111.151 -2.899 . 0.369 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.534 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.875 0 C5'-C4'-C3' 111.337 -2.775 . 0.264 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.329 0 C5'-C4'-C3' 111.078 -2.948 . 0.0 OUTLIER delta 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.404 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 3.0 tpt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -112.39 -64.43 1.3 Allowed 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.507 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 2' ' ' ASP . 3.0 mp0 63.75 -58.26 0.19 Allowed 'General case' 0 N--CA 1.499 2.01 0 O-C-N 122.067 -0.395 . . . . 0.0 110.692 178.624 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 2' ' ' ASP . . . -75.57 66.44 2.36 Favored Glycine 0 N--CA 1.499 2.856 0 N-CA-C 108.863 -1.695 . . . . 0.0 108.863 178.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.607 ' O ' ' NZ ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -56.65 100.05 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.8 -0.824 . . . . 0.0 110.333 -179.031 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.5 ' C ' ' O ' ' A' ' 5' ' ' ASP . 0.4 OUTLIER 23.02 77.72 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.309 0 CA-C-O 121.539 0.685 . . . . 0.0 112.619 179.658 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.607 ' NZ ' ' O ' ' A' ' 5' ' ' ASP . 13.5 mmtm -111.12 170.74 7.9 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.803 -1.186 . . . . 0.0 109.132 178.835 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t -96.2 111.99 58.28 Favored Pre-proline 0 N--CA 1.498 1.952 0 O-C-N 121.104 -0.998 . . . . 0.0 110.291 -179.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.3 Cg_endo -76.99 -40.82 0.43 Allowed 'Trans proline' 0 C--N 1.318 -1.058 0 C-N-CA 122.593 2.196 . . . . 0.0 110.845 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.8 mt -49.83 -41.7 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.127 0 O-C-N 121.309 -0.87 . . . . 0.0 109.749 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.71 -60.78 2.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.512 -0.742 . . . . 0.0 109.327 179.197 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 15' ' ' GLU . 6.8 mt-30 -62.93 -33.74 75.99 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.437 -0.789 . . . . 0.0 109.978 179.424 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.758 HG22 HD21 ' A' ' 70' ' ' LEU . 85.1 t -57.09 -49.7 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 O-C-N 120.946 -1.096 . . . . 0.0 108.468 178.732 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -63.71 -41.17 98.14 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.233 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 47.0 mt-10 -58.08 -51.25 70.48 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.55 -0.719 . . . . 0.0 110.333 179.525 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 17' ' ' GLY . 38.2 pt -66.67 -38.65 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.091 -1.006 . . . . 0.0 109.665 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' N ' HG13 ' A' ' 16' ' ' ILE . . . -60.84 -52.4 52.64 Favored Glycine 0 N--CA 1.499 2.89 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 178.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.41 HD11 " H1'" ' B' ' 17' ' ' ' G' . 10.4 mt -65.67 -39.99 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.542 -0.975 . . . . 0.0 109.557 179.105 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -68.01 -34.65 76.91 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.15 -0.969 . . . . 0.0 110.392 -179.879 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -94.95 14.01 23.09 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.004 -1.06 . . . . 0.0 110.533 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.6 t30 56.38 40.53 29.7 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.046 -1.034 . . . . 0.0 110.0 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.1 mtt -112.17 131.46 55.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.062 -1.024 . . . . 0.0 109.957 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.25 131.53 46.34 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.068 -1.02 . . . . 0.0 110.163 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.41 91.11 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.425 -0.797 . . . . 0.0 108.874 179.547 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.469 ' HB2' ' HB ' ' A' ' 45' ' ' ILE . 89.6 m-70 -102.27 99.59 9.69 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.918 -1.113 . . . . 0.0 110.591 -179.019 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.408 ' CD2' ' SG ' ' A' ' 44' ' ' CYS . 4.5 m-85 -86.24 104.04 15.42 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.294 -0.879 . . . . 0.0 109.219 179.377 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.438 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -135.97 146.08 46.85 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.921 -1.112 . . . . 0.0 111.236 -179.268 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.438 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 17.3 t -102.26 162.25 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.0 -1.063 . . . . 0.0 108.801 178.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.416 HD11 ' HB ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -100.18 -73.86 0.62 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 120.922 -1.112 . . . . 0.0 109.459 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -172.76 -85.62 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 121.433 0.635 . . . . 0.0 109.5 179.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HG2' HD12 ' A' ' 41' ' ' ILE . 2.4 tp10 72.65 152.42 0.12 Allowed 'General case' 0 N--CA 1.501 2.084 0 CA-C-O 121.758 0.79 . . . . 0.0 111.368 179.235 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.18 55.29 3.38 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.341 -0.849 . . . . 0.0 109.518 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.529 ' HA3' ' CZ ' ' A' ' 40' ' ' PHE . . . -49.44 -52.32 24.24 Favored Glycine 0 N--CA 1.504 3.185 0 O-C-N 121.095 -1.003 . . . . 0.0 111.37 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.585 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 36.6 Cg_endo -78.64 159.97 28.3 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 122.299 1.999 . . . . 0.0 111.322 -179.573 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 76.1 -72.31 0.11 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.537 -0.727 . . . . 0.0 111.105 179.254 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -146.46 142.34 28.02 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.793 -1.192 . . . . 0.0 110.686 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.9 ttp 74.61 77.11 0.11 Allowed 'General case' 0 N--CA 1.504 2.266 0 CA-C-O 121.89 0.852 . . . . 0.0 109.617 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' HG3' ' H ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -76.6 70.63 3.15 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.166 -0.959 . . . . 0.0 109.693 -179.789 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -132.57 132.3 42.41 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.88 -1.137 . . . . 0.0 109.559 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.529 ' CZ ' ' HA3' ' A' ' 33' ' ' GLY . 18.1 m-85 -123.01 98.9 6.11 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.05 -1.031 . . . . 0.0 110.329 -179.73 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.508 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 3.2 mp -73.54 117.86 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.199 -0.938 . . . . 0.0 109.635 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.779 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 90.5 m -96.4 128.77 43.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.131 -0.981 . . . . 0.0 109.084 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -106.55 111.75 24.45 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.113 -0.992 . . . . 0.0 110.485 -179.402 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.836 ' SG ' ' HB1' ' A' ' 65' ' ' ALA . 60.6 m -107.52 116.02 31.19 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.017 -1.052 . . . . 0.0 109.095 179.352 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.547 ' CG1' ' HB ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -84.07 126.29 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.913 -1.117 . . . . 0.0 110.617 -179.188 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.75 HG22 ' CE ' ' A' ' 69' ' ' MET . 2.2 t -97.56 158.07 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.726 -1.212 . . . . 0.0 107.726 178.284 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.3 69.48 0.03 OUTLIER Glycine 0 N--CA 1.505 3.271 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 46' ' ' VAL . 1.7 m 164.41 -42.81 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 O-C-N 122.044 -0.68 . . . . 0.0 109.207 -179.611 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -158.17 -152.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.884 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.547 ' HB ' ' CG1' ' A' ' 45' ' ' ILE . 0.9 OUTLIER -137.02 150.56 26.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.436 -1.415 . . . . 0.0 110.361 179.24 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.499 ' OG1' ' HG3' ' A' ' 69' ' ' MET . 6.7 p -117.9 117.34 29.01 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.431 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -88.21 142.02 28.09 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.361 -0.837 . . . . 0.0 110.477 -179.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.56 101.01 0.49 Allowed Glycine 0 N--CA 1.499 2.867 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 15.3 mt-10 -72.21 79.08 0.97 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.431 -1.04 . . . . 0.0 110.379 -179.6 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -83.49 155.46 32.38 Favored Glycine 0 N--CA 1.5 2.936 0 N-CA-C 110.156 -1.177 . . . . 0.0 110.156 179.799 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -68.28 -15.43 63.57 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.117 -1.225 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 116.38 -97.84 0.78 Allowed Glycine 0 N--CA 1.499 2.892 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -73.1 -31.56 64.42 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.452 -1.028 . . . . 0.0 110.699 -179.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -83.4 -43.65 15.66 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.056 -1.027 . . . . 0.0 109.729 179.883 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.498 HG12 ' HB2' ' A' ' 64' ' ' ARG . 2.0 t -143.48 146.7 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 O-C-N 121.298 -0.876 . . . . 0.0 109.319 179.534 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.468 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 82.0 p -174.73 -91.59 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.431 ' N ' ' OG ' ' A' ' 61' ' ' SER . 15.0 mttt -56.03 -34.5 65.92 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.247 -0.908 . . . . 0.0 108.778 178.47 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' NZ ' ' CD ' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -64.84 -46.85 80.16 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.408 -0.807 . . . . 0.0 109.534 178.902 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.498 ' HB2' HG12 ' A' ' 60' ' ' VAL . 2.3 tpt180 -62.92 -44.65 95.5 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.352 -0.842 . . . . 0.0 109.014 179.153 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.836 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -60.01 -45.07 93.97 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.651 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.01 90.32 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.466 -0.771 . . . . 0.0 109.54 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' CD ' ' NZ ' ' A' ' 63' ' ' LYS . 26.9 mt-10 -54.52 -41.02 69.17 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.437 -0.79 . . . . 0.0 109.713 179.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.49 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -66.89 -57.27 7.3 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.228 -0.92 . . . . 0.0 108.972 178.857 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.75 ' CE ' HG22 ' A' ' 46' ' ' VAL . 1.7 mtt -49.11 -50.77 35.59 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.531 -0.731 . . . . 0.0 110.45 179.568 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.758 HD21 HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -65.51 -48.74 71.51 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.151 -0.968 . . . . 0.0 111.483 -179.162 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 68' ' ' LYS . 6.8 p -65.31 -38.4 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.766 -1.209 . . . . 0.0 110.61 -179.068 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.49 ' OE2' ' NZ ' ' A' ' 68' ' ' LYS . 0.3 OUTLIER -69.54 -55.72 9.38 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.129 -0.982 . . . . 0.0 109.852 179.888 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.819 HD23 HD11 ' A' ' 76' ' ' LEU . 37.6 mt -58.62 -22.17 55.64 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 120.978 -1.076 . . . . 0.0 110.595 179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.558 ' HG3' ' N ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -55.31 -35.78 65.5 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 177.842 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.558 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 79.8 mttt -156.32 88.82 1.09 Allowed 'General case' 0 N--CA 1.487 1.376 0 CA-C-O 121.469 0.652 . . . . 0.0 109.568 177.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.819 HD11 HD23 ' A' ' 73' ' ' LEU . 5.2 mt . . . . . 0 C--N 1.291 -1.943 0 CA-C-O 118.469 -0.777 . . . . 0.0 109.981 179.565 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.432 " H1'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.763 0 C3'-C2'-C1' 104.008 2.786 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.432 " O4'" " H1'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.42 -2.772 0 C3'-C2'-C1' 104.454 3.282 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.157 0 C5'-C4'-C3' 111.096 -2.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.422 " O5'" ' H6 ' ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.962 0 C5'-C4'-C3' 111.392 -2.739 . 0.305 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.095 0 C5'-C4'-C3' 111.263 -2.825 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.061 0 C5'-C4'-C3' 111.273 -2.818 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.118 0 O4'-C1'-N19 111.116 2.916 . 0.18 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.094 0 C5'-C4'-C3' 111.127 -2.916 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . 0.407 " H2'" ' C6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.038 0 O4'-C1'-N19 110.995 2.795 . 0.376 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.511 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.017 0 O4'-C1'-N19 110.973 2.773 . 0.185 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.664 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.174 0 C5'-C4'-C3' 111.296 -2.803 . 0.068 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.664 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.085 0 O4'-C1'-N19 111.106 2.906 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.402 " O5'" ' H6 ' ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.068 0 O4'-C1'-N19 111.77 3.57 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.782 " O2'" ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.422 -2.578 0 C3'-C2'-C1' 104.72 3.578 . 0.096 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.089 0 O4'-C1'-N19 111.691 3.491 . 0.139 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.782 ' H5 ' " O2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.945 0 O4'-C1'-N19 111.462 3.262 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.718 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.835 0 O4'-C1'-N19 111.225 3.025 . 0.01 0i . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.718 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.425 -2.34 0 C5'-C4'-C3' 111.508 -2.661 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.049 0 C5'-C4'-C3' 111.199 -2.868 . 0.229 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.664 " O2'" " H5'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.086 0 O4'-C1'-N19 111.091 2.891 . 0.146 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.664 " H5'" " O2'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.911 0 C5'-C4'-C3' 111.237 -2.842 . 0.331 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.406 ' C6 ' " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.017 0 C5'-C4'-C3' 111.248 -2.835 . 0.26 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.409 " C2'" H5'' ' B' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.971 0 C5'-C4'-C3' 111.195 -2.87 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . 0.409 H5'' " C2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.058 0 O4'-C1'-N19 111.072 2.872 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.471 ' H6 ' " O5'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.114 0 O4'-C1'-N19 111.135 2.935 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.585 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.118 0 O4'-C1'-N19 111.033 2.833 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.955 0 C5'-C4'-C3' 111.263 -2.825 . 0.241 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.988 0 C5'-C4'-C3' 111.196 -2.869 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.408 " H2'" " O4'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.935 0 C5'-C4'-C3' 111.194 -2.871 . 0.132 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.408 " O4'" " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.06 0 O4'-C1'-N19 111.111 2.911 . 0.037 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 mtt . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.91 58.87 1.23 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.83 22.8 14.11 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.372 -0.83 . . . . 0.0 110.631 -178.51 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.69 -8.25 71.72 Favored Glycine 0 N--CA 1.502 3.07 0 O-C-N 120.88 -1.138 . . . . 0.0 110.819 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.416 ' O ' ' CE ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -63.03 -60.01 4.02 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.109 -1.23 . . . . 0.0 109.551 179.759 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 12.3 mmtt -84.49 175.39 9.33 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.027 -1.046 . . . . 0.0 109.547 179.524 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER 172.56 -156.82 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.337 -0.852 . . . . 0.0 109.394 -179.472 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.5 p -97.28 107.15 36.73 Favored Pre-proline 0 N--CA 1.493 1.683 0 O-C-N 121.152 -0.967 . . . . 0.0 108.96 178.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 31.5 Cg_endo -72.5 -37.32 4.3 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.124 1.883 . . . . 0.0 110.434 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.6 mt -51.74 -39.09 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.32 -0.863 . . . . 0.0 109.776 179.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -65.33 0.66 Allowed 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.039 -1.038 . . . . 0.0 109.318 179.298 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -57.47 -33.77 68.33 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.402 -0.811 . . . . 0.0 109.564 179.408 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.074 HG22 HD21 ' A' ' 70' ' ' LEU . 55.4 t -65.06 -38.75 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.861 -1.149 . . . . 0.0 108.514 178.251 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.524 ' HE2' ' HD2' ' A' ' 26' ' ' PHE . 4.0 m-70 -68.85 -48.68 62.87 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 178.526 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 37.4 mt-10 -58.66 -49.04 79.01 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.599 -0.688 . . . . 0.0 109.561 179.157 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 81.3 mt -70.22 -32.73 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.1 -1.0 . . . . 0.0 108.548 178.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.446 ' HA2' ' HB2' ' A' ' 22' ' ' MET . . . -51.18 -41.92 47.8 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER -88.28 -43.42 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 O-C-N 120.841 -1.387 . . . . 0.0 107.953 178.673 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 5.8 tptt -53.59 -34.21 57.6 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.602 -0.686 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.509 ' HB3' ' HG3' ' A' ' 22' ' ' MET . 0.0 OUTLIER -104.66 24.59 11.52 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.047 -1.033 . . . . 0.0 110.904 -179.208 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 52.27 38.03 23.72 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.091 -1.006 . . . . 0.0 110.713 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.509 ' HG3' ' HB3' ' A' ' 20' ' ' ARG . 2.4 mtt -99.71 -35.95 9.64 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.996 -1.065 . . . . 0.0 109.968 179.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.451 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER 64.81 66.33 0.58 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.224 -0.922 . . . . 0.0 109.932 179.938 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.577 HG21 HG12 ' A' ' 13' ' ' VAL . 62.6 t -66.19 102.22 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.108 -0.995 . . . . 0.0 109.437 179.834 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.541 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 19.3 m-70 -108.27 112.16 24.49 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.245 -0.909 . . . . 0.0 110.14 -179.492 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.524 ' HD2' ' HE2' ' A' ' 14' ' ' HIS . 29.8 m-85 -89.47 137.77 32.03 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.325 -0.859 . . . . 0.0 110.24 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -151.17 124.52 8.87 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.455 -0.778 . . . . 0.0 109.779 179.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.9 t -90.25 135.21 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 120.906 -1.121 . . . . 0.0 109.533 179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mt -82.71 -36.93 25.4 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.264 -0.897 . . . . 0.0 109.21 179.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -168.08 141.05 3.14 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.42 -0.8 . . . . 0.0 109.55 179.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . 3.4 pt-20 -113.61 128.23 56.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.428 -0.795 . . . . 0.0 109.898 -179.542 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 50.83 -151.28 0.22 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.448 -0.782 . . . . 0.0 110.385 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.869 ' O ' " H4'" ' B' ' 4' ' ' ' C' . . . -171.84 175.63 45.17 Favored Glycine 0 N--CA 1.5 2.926 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 -179.756 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -73.08 -31.56 9.53 Favored 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.222 1.948 . . . . 0.0 111.22 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' HA ' ' H21' ' B' ' 2' ' ' ' G' . . . -169.85 141.32 2.23 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.081 -1.012 . . . . 0.0 110.154 179.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 67.92 170.13 0.27 Allowed 'General case' 0 N--CA 1.503 2.201 0 CA-C-O 121.364 0.602 . . . . 0.0 110.844 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 33.75 73.2 0.08 Allowed 'General case' 0 N--CA 1.508 2.432 0 CA-C-O 121.41 0.624 . . . . 0.0 112.377 179.447 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.613 ' NZ ' " O2'" ' B' ' 2' ' ' ' G' . 0.2 OUTLIER -91.88 100.19 12.91 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.948 -1.095 . . . . 0.0 108.799 178.463 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -147.83 153.72 39.53 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.243 -0.911 . . . . 0.0 110.364 -179.296 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CG ' ' HA2' ' A' ' 57' ' ' GLY . 1.1 m-85 -106.51 127.53 53.38 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.144 -0.973 . . . . 0.0 110.002 179.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.2 95.87 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.08 0 O-C-N 120.857 -1.152 . . . . 0.0 109.739 179.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 25.2 m -97.14 123.13 40.81 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.261 -0.899 . . . . 0.0 109.493 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.705 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -102.6 168.38 9.31 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.113 -0.992 . . . . 0.0 109.917 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.647 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -160.21 154.37 23.31 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.097 -1.002 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.41 HG13 HG13 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -110.25 132.29 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.097 -1.002 . . . . 0.0 110.004 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.677 HG13 ' O ' ' A' ' 46' ' ' VAL . 13.1 p -122.21 95.42 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-O 121.998 0.904 . . . . 0.0 109.812 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.17 -100.97 0.69 Allowed Glycine 0 N--CA 1.5 2.912 0 O-C-N 120.767 -1.208 . . . . 0.0 110.306 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.5 t -118.89 24.91 10.57 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.265 -1.138 . . . . 0.0 110.146 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.5 mt -136.63 154.46 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.064 -1.022 . . . . 0.0 109.34 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.41 HG13 HG13 ' A' ' 45' ' ' ILE . 1.2 t -118.22 145.99 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.136 -0.978 . . . . 0.0 109.001 179.233 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 m -141.8 152.71 43.97 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.561 -0.712 . . . . 0.0 109.506 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.705 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 10.8 pt-20 -121.95 165.16 16.4 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.101 -0.999 . . . . 0.0 110.006 179.847 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.17 109.64 0.72 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.61 66.25 0.33 Allowed 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 121.833 0.825 . . . . 0.0 109.915 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.583 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -64.36 147.12 50.78 Favored Glycine 0 N--CA 1.498 2.805 0 O-C-N 121.099 -1.001 . . . . 0.0 110.659 -179.738 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -68.08 -8.88 41.8 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.305 -1.115 . . . . 0.0 111.094 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.603 ' HA2' ' CG ' ' A' ' 40' ' ' PHE . . . 105.28 -112.19 3.93 Favored Glycine 0 N--CA 1.502 3.084 0 N-CA-C 110.048 -1.221 . . . . 0.0 110.048 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -72.63 59.74 0.46 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.256 -1.144 . . . . 0.0 109.682 179.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.9 tttm 179.69 -47.23 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.525 -0.734 . . . . 0.0 109.09 -179.792 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.6 t -141.33 148.72 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.324 -0.86 . . . . 0.0 109.629 179.711 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.583 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 0.4 OUTLIER 175.15 -83.26 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.227 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.448 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -53.48 -38.21 63.41 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.291 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 1.2 ttmt -66.57 -65.14 0.72 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.48 -0.762 . . . . 0.0 109.926 179.285 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ttt85 -44.54 -40.81 5.97 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 121.085 -1.009 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.444 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -69.73 -44.18 70.83 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.326 -0.859 . . . . 0.0 109.396 179.196 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 26' ' ' PHE . . . -66.21 -54.71 21.93 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.414 -0.804 . . . . 0.0 110.684 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 3.7 mm-40 -51.22 -40.01 57.82 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.551 ' O ' HG22 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -59.35 -47.21 86.27 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.235 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.647 ' SD ' ' HB2' ' A' ' 44' ' ' CYS . 48.0 mtp -59.86 -44.25 94.23 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.122 -0.986 . . . . 0.0 109.097 178.548 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.074 HD21 HG22 ' A' ' 13' ' ' VAL . 62.6 mt -58.02 -54.55 45.66 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.386 -0.821 . . . . 0.0 109.757 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 68' ' ' LYS . 20.5 m -58.83 -24.76 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 120.861 -1.149 . . . . 0.0 109.332 178.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.07 -63.62 1.35 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.713 -0.617 . . . . 0.0 109.926 179.31 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.401 HD23 HG21 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -64.14 -21.37 66.52 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 120.834 -1.166 . . . . 0.0 110.747 179.912 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.18 17.1 1.73 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.796 -1.19 . . . . 0.0 110.145 179.16 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -13.17 9.97 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.342 -0.849 . . . . 0.0 110.355 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.0 mt . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 117.845 -1.074 . . . . 0.0 109.964 -179.7 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.825 " H1'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.981 0 C3'-C2'-C1' 104.122 2.913 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.825 " O4'" " H1'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.008 0 C5'-C4'-C3' 111.457 -2.695 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.5 " O2'" ' HE3' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.613 2.025 0 C5'-C4'-C3' 110.729 -3.181 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.869 " H4'" ' O ' ' A' ' 33' ' ' GLY . . . . . . . . 0 O4'--C1' 1.437 1.919 0 O4'-C1'-N19 110.977 2.777 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.41 ' N1 ' ' N3 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.083 0 C5'-C4'-C3' 111.115 -2.924 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.91 0 C5'-C4'-C3' 111.27 -2.82 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.958 0 C5'-C4'-C3' 111.08 -2.947 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.503 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.89 0 C5'-C4'-C3' 111.301 -2.799 . 0.202 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.03 0 C5'-C4'-C3' 111.295 -2.803 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.471 ' H6 ' " O5'" ' B' ' 10' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 2.032 0 C5'-C4'-C3' 111.249 -2.834 . 0.17 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.1 0 C5'-C4'-C3' 111.167 -2.889 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.95 0 O4'-C1'-N19 111.263 3.063 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.031 0 C5'-C4'-C3' 111.176 -2.883 . 0.329 1L . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.616 " H1'" ' O6 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.182 0 C5'-C4'-C3' 110.61 -3.26 . 0.273 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.405 " O3'" ' NZ ' ' A' ' 19' ' ' LYS . . . . . . . . 0 O4'--C4' 1.428 -2.092 0 O4'-C1'-N19 111.539 3.339 . 0.01 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.651 " O5'" ' H6 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.979 0 C5'-C4'-C3' 111.251 -2.832 . 0.081 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.616 ' O6 ' " H1'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.612 1.916 0 C5'-C4'-C3' 110.712 -3.192 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.515 ' H8 ' ' OP2' ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.065 0 C5'-C4'-C3' 111.094 -2.938 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.894 0 C5'-C4'-C3' 110.814 -3.124 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.609 1.637 0 C5'-C4'-C3' 110.898 -3.068 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.439 ' N3 ' " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.437 1.91 0 C5'-C4'-C3' 111.066 -2.956 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.116 0 O4'-C1'-N19 111.115 2.915 . 0.148 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.108 0 O4'-C1'-N19 111.117 2.917 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.188 0 C5'-C4'-C3' 111.391 -2.74 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.059 0 O4'-C1'-N19 111.136 2.936 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.569 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.182 0 O4'-C1'-N19 111.08 2.88 . 0.175 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.417 " O2'" " H5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.426 -2.253 0 C5'-C4'-C3' 111.455 -2.697 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.696 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.152 0 C5'-C4'-C3' 111.072 -2.952 . 0.088 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.428 " H2'" ' C5 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.23 0 C5'-C4'-C3' 111.066 -2.956 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.428 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.269 0 C5'-C4'-C3' 111.286 -2.809 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.439 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 37.2 ttp . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 120.97 0.415 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.03 57.34 4.39 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-O 121.54 0.686 . . . . 0.0 110.591 -178.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 1' ' ' MET . 11.6 mp0 -109.08 -63.78 1.31 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.072 -1.017 . . . . 0.0 109.208 179.187 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.17 -166.64 25.97 Favored Glycine 0 N--CA 1.499 2.855 0 N-CA-C 109.34 -1.504 . . . . 0.0 109.34 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -166.49 1.08 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -1.127 . . . . 0.0 109.124 179.665 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -113.06 41.2 2.14 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.594 -1.316 . . . . 0.0 110.669 -179.224 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' HA ' ' OP1' ' B' ' 20' ' ' ' G' . 32.8 mtmt -109.77 60.24 0.6 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 120.748 -1.22 . . . . 0.0 110.625 -179.844 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.509 ' OG ' ' HE2' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -159.94 97.05 1.53 Allowed Pre-proline 0 N--CA 1.499 1.976 0 O-C-N 120.986 -1.072 . . . . 0.0 110.039 179.697 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -74.3 -70.96 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 122.451 2.1 . . . . 0.0 110.443 179.743 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.634 ' HB ' ' CD2' ' A' ' 14' ' ' HIS . 10.0 mm 60.21 1.05 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 120.931 -1.105 . . . . 0.0 112.215 178.412 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -35.41 -72.04 0.06 Allowed 'General case' 0 N--CA 1.51 2.549 0 O-C-N 121.003 -1.061 . . . . 0.0 112.24 -179.373 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -40.15 -43.87 1.72 Allowed 'General case' 0 N--CA 1.507 2.409 0 O-C-N 121.267 -0.896 . . . . 0.0 111.631 -178.638 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.86 HG22 HD21 ' A' ' 70' ' ' LEU . 20.8 t -72.78 -39.62 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 O-C-N 120.722 -1.236 . . . . 0.0 109.183 179.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.634 ' CD2' ' HB ' ' A' ' 10' ' ' ILE . 32.2 m-70 -64.45 -43.29 94.75 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.268 -0.895 . . . . 0.0 108.88 178.692 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 19.2 mt-10 -55.25 -53.74 52.24 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.247 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.821 HD12 ' CD1' ' A' ' 70' ' ' LEU . 75.2 mt -67.13 -43.54 88.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.225 -0.922 . . . . 0.0 109.532 179.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -53.64 -58.75 11.21 Favored Glycine 0 N--CA 1.501 2.992 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.254 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.415 ' HB ' ' H8 ' ' B' ' 17' ' ' ' G' . 0.1 OUTLIER -60.81 -36.23 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.367 -1.078 . . . . 0.0 109.45 178.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -51.34 -33.28 28.77 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.361 -0.837 . . . . 0.0 109.643 178.945 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.67 20.84 13.82 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.317 -0.865 . . . . 0.0 110.185 179.734 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 t30 55.67 40.82 30.93 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.194 -0.941 . . . . 0.0 109.607 -179.607 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.9 mtp -101.64 141.28 34.74 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.089 -1.007 . . . . 0.0 110.684 -179.309 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -76.4 118.84 19.5 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.19 -0.944 . . . . 0.0 109.683 179.613 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.2 t -105.78 112.46 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 121.479 -0.763 . . . . 0.0 109.657 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.698 ' HB2' HG22 ' A' ' 45' ' ' ILE . 14.7 m-70 -128.45 133.59 48.56 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.006 -1.059 . . . . 0.0 110.121 -179.584 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.404 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 10.2 m-85 -120.76 140.38 51.77 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.221 -0.924 . . . . 0.0 110.016 -179.665 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -158.02 165.38 35.24 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.949 -1.095 . . . . 0.0 110.068 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.698 HG11 ' HG3' ' A' ' 31' ' ' GLU . 5.6 t -103.12 154.18 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.896 -1.127 . . . . 0.0 109.468 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.727 HD21 ' CB ' ' A' ' 43' ' ' ALA . 3.7 mt -105.72 -38.61 6.34 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.21 -0.931 . . . . 0.0 109.823 -179.526 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 -142.34 117.09 9.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.293 -0.879 . . . . 0.0 110.026 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.698 ' HG3' HG11 ' A' ' 28' ' ' VAL . 2.8 mt-10 -118.05 97.12 5.65 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.558 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.92 -168.83 2.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.302 -0.874 . . . . 0.0 110.832 -178.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -74.3 140.69 27.78 Favored Glycine 0 N--CA 1.498 2.831 0 O-C-N 120.977 -1.077 . . . . 0.0 110.526 -179.211 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -70.56 -27.93 22.04 Favored 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 122.724 2.283 . . . . 0.0 110.744 179.529 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.07 20.1 9.52 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.245 -0.91 . . . . 0.0 109.521 178.573 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.01 -49.68 0.51 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.93 -1.106 . . . . 0.0 110.245 -179.387 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.1 mtt -141.09 87.89 2.13 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.986 -1.071 . . . . 0.0 109.918 -179.128 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -69.49 68.13 0.23 Allowed 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.132 -0.98 . . . . 0.0 110.793 -179.699 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -142.65 114.64 8.21 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.948 -1.095 . . . . 0.0 109.129 179.281 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -113.24 103.29 11.19 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.163 -0.961 . . . . 0.0 110.462 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.9 mm -75.05 100.51 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.188 -0.945 . . . . 0.0 108.632 179.327 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 53.6 m -99.14 127.81 45.16 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.237 -0.914 . . . . 0.0 110.003 -179.158 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.727 ' CB ' HD21 ' A' ' 29' ' ' LEU . . . -108.76 149.89 28.39 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.434 -0.791 . . . . 0.0 109.531 179.384 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.404 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 28.5 p -137.69 155.23 49.34 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.19 -0.944 . . . . 0.0 110.056 -179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.698 HG22 ' HB2' ' A' ' 25' ' ' HIS . 14.9 tt -133.06 133.58 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.53 -0.731 . . . . 0.0 109.167 179.45 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 23' ' ' THR . 72.2 t -131.07 102.18 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.205 -0.934 . . . . 0.0 109.359 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . 55.92 58.88 11.94 Favored Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -179.862 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 1.5 t 81.53 -32.36 0.1 Allowed 'General case' 0 N--CA 1.51 2.567 0 O-C-N 121.603 -0.94 . . . . 0.0 111.744 179.44 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.627 HD13 ' CD2' ' A' ' 73' ' ' LEU . 6.5 mt -71.54 135.11 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.631 -1.293 . . . . 0.0 109.83 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.507 HG22 HG13 ' A' ' 45' ' ' ILE . 1.6 t -122.34 150.13 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.217 -0.927 . . . . 0.0 109.973 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.498 ' OG1' ' HG3' ' A' ' 69' ' ' MET . 3.3 m -160.41 146.87 15.51 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.333 -0.855 . . . . 0.0 109.354 179.429 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.558 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -109.26 163.21 13.58 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.115 -0.991 . . . . 0.0 110.861 -179.04 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.681 ' HA3' ' HB2' ' A' ' 65' ' ' ALA . . . -135.84 107.1 0.6 Allowed Glycine 0 N--CA 1.495 2.579 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 -179.636 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 17.7 pm0 -70.86 67.57 0.4 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.926 0.87 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.648 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -82.71 128.84 8.7 Favored Glycine 0 N--CA 1.5 2.948 0 O-C-N 120.162 -1.586 . . . . 0.0 112.223 -178.658 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.54 56.79 1.04 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 178.336 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -172.42 166.71 39.51 Favored Glycine 0 N--CA 1.501 3.014 0 O-C-N 120.912 -1.117 . . . . 0.0 110.774 -179.083 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.14 107.67 0.29 Allowed 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.671 -0.899 . . . . 0.0 111.474 -179.631 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 mtmt 63.29 12.85 6.51 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 121.564 -0.71 . . . . 0.0 111.546 179.267 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.488 HG13 ' CA ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -74.21 -35.82 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 O-C-N 120.782 -1.199 . . . . 0.0 110.102 179.845 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.648 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 24.5 p -55.88 -60.72 3.06 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.623 -0.673 . . . . 0.0 110.621 -179.594 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.509 ' HE2' ' OG ' ' A' ' 8' ' ' SER . 49.8 mttt -49.58 -39.92 36.84 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.542 -0.724 . . . . 0.0 109.987 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.615 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 9.3 mmtt -71.53 -63.67 1.07 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.195 -0.941 . . . . 0.0 108.94 179.095 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -48.58 -38.71 21.44 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.197 -0.939 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.681 ' HB2' ' HA3' ' A' ' 53' ' ' GLY . . . -67.73 -47.74 68.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.059 -1.026 . . . . 0.0 109.642 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.553 ' HB1' ' CG2' ' A' ' 13' ' ' VAL . . . -66.62 -46.54 75.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.443 -0.786 . . . . 0.0 110.636 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 63' ' ' LYS . 11.9 mm-40 -53.78 -41.92 67.75 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.225 -0.922 . . . . 0.0 109.45 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' O ' HG12 ' A' ' 71' ' ' VAL . 1.2 mtmt -62.73 -58.0 9.02 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.612 -0.68 . . . . 0.0 109.362 179.209 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.498 ' HG3' ' OG1' ' A' ' 51' ' ' THR . 3.3 ttm -58.47 -40.27 82.2 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.246 -0.909 . . . . 0.0 110.73 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.86 HD21 HG22 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -65.32 -55.21 19.52 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.971 -1.081 . . . . 0.0 110.578 -179.32 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 68' ' ' LYS . 7.7 p -56.98 -32.65 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 121.141 -0.974 . . . . 0.0 109.978 -179.85 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.43 -47.2 16.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.76 -1.212 . . . . 0.0 109.547 179.172 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.627 ' CD2' HD13 ' A' ' 49' ' ' ILE . 54.0 mt -59.35 -36.74 76.29 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.096 -1.002 . . . . 0.0 110.307 179.414 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.56 -18.19 57.15 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.22 -0.925 . . . . 0.0 109.897 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.08 -19.76 15.65 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.293 -0.879 . . . . 0.0 109.949 179.767 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 CA--C 1.554 1.122 0 CA-C-O 117.668 -1.158 . . . . 0.0 109.916 -179.567 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.435 1.78 0 C5'-C4'-C3' 111.318 -2.788 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.996 0 C5'-C4'-C3' 110.994 -3.004 . 0.037 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.91 0 C5'-C4'-C3' 111.197 -2.869 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.236 0 C5'-C4'-C3' 111.56 -2.627 . 0.225 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.042 0 C5'-C4'-C3' 110.839 -3.107 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.871 0 C5'-C4'-C3' 111.231 -2.846 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.423 ' H6 ' " O5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.046 0 O4'-C1'-N19 111.113 2.913 . 0.144 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.512 ' O4 ' ' N6 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.188 0 O4'-C1'-N19 111.056 2.856 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.892 0 C5'-C4'-C3' 111.272 -2.819 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.482 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.989 0 O4'-C1'-N19 111.052 2.852 . 0.207 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.676 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.296 0 C5'-C4'-C3' 111.304 -2.798 . 0.012 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.866 " H2'" " O4'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.231 0 O4'-C1'-N19 111.116 2.916 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.866 " O4'" " H2'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 C3'-C2'-C1' 103.944 2.716 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.572 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.435 1.74 0 O4'-C1'-N19 112.001 3.801 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.825 0 C3'-C2'-C1' 104.53 3.367 . 0.152 1z . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.572 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.279 0 C5'-C4'-C3' 111.151 -2.899 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.76 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.856 0 O4'-C1'-N19 111.302 3.102 . 0.0 OUTLIER '7D dist 6j' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.027 0 C5'-C4'-C3' 111.336 -2.776 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.445 ' N2 ' ' C4 ' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.828 0 C5'-C4'-C3' 111.234 -2.844 . 0.403 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.482 ' OP1' ' HA ' ' A' ' 7' ' ' LYS . . . . . . . . 0 O4'--C1' 1.436 1.856 0 C5'-C4'-C3' 110.909 -3.061 . 0.224 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.407 ' C8 ' " H2'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.966 0 C5'-C4'-C3' 111.341 -2.773 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.985 0 C5'-C4'-C3' 111.093 -2.938 . 0.27 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.512 ' N6 ' ' O4 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C3'-C2'-C1' 104.119 2.91 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . 0.704 " O2'" ' C5 ' ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.299 2 C1'-O4'-C4' 103.368 -6.924 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.704 ' C5 ' " O2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.948 3 O3'-P-O5' 92.369 -6.122 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.083 0 C5'-C4'-C3' 111.201 -2.866 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.172 0 C5'-C4'-C3' 111.273 -2.818 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.938 0 C5'-C4'-C3' 111.202 -2.865 . 0.012 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.465 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.852 0 C5'-C4'-C3' 110.983 -3.011 . 0.178 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.84 0 O4'-C1'-N19 111.053 2.853 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.625 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.01 178.35 6.05 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 -178.705 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.86 -156.09 0.63 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.101 -0.999 . . . . 0.0 109.927 -179.789 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.534 ' O ' ' HE3' ' A' ' 6' ' ' LYS . . . 84.52 3.81 88.16 Favored Glycine 0 N--CA 1.499 2.865 0 O-C-N 120.899 -1.125 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.407 ' OD2' ' NZ ' ' A' ' 7' ' ' LYS . 16.4 t70 -74.46 157.94 34.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.147 -1.207 . . . . 0.0 110.089 179.861 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.534 ' HE3' ' O ' ' A' ' 4' ' ' GLY . 4.9 mttt -140.27 107.37 5.46 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.208 -0.933 . . . . 0.0 109.05 179.603 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' NZ ' ' OD2' ' A' ' 5' ' ' ASP . 2.2 mttp -145.41 -171.3 3.64 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.335 -0.853 . . . . 0.0 109.969 -179.44 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.559 ' OG ' ' HD2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -120.41 152.05 54.56 Favored Pre-proline 0 N--CA 1.498 1.938 0 O-C-N 121.104 -0.997 . . . . 0.0 109.912 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.559 ' HD2' ' OG ' ' A' ' 8' ' ' SER . 32.6 Cg_endo -72.57 -29.63 13.02 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.538 2.159 . . . . 0.0 111.254 -179.852 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.443 ' O ' HG12 ' A' ' 13' ' ' VAL . 49.2 mm -57.04 -52.07 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 O-C-N 121.069 -1.019 . . . . 0.0 109.614 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -43.36 63.09 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.962 -1.086 . . . . 0.0 109.642 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -63.92 -44.19 93.66 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.253 -0.905 . . . . 0.0 110.774 -179.606 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.659 HG13 HG11 ' A' ' 24' ' ' VAL . 2.3 p -61.0 -45.76 97.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 120.754 -1.216 . . . . 0.0 108.731 179.084 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.492 ' N ' ' CG1' ' A' ' 13' ' ' VAL . 13.6 m-70 -62.47 -40.26 96.08 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 178.45 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.4 -56.97 15.27 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.571 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.4 mt -53.47 -43.79 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.46 -0.775 . . . . 0.0 109.61 179.468 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.59 -46.02 91.32 Favored Glycine 0 N--CA 1.498 2.801 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.563 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.44 HG21 ' C8 ' ' B' ' 17' ' ' ' G' . 44.2 mt -70.17 -43.3 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.612 -0.934 . . . . 0.0 110.117 179.771 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.5 -26.01 67.72 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.137 -0.977 . . . . 0.0 110.051 179.688 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.53 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 6.5 mmt180 -100.39 -71.03 0.72 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.187 -0.945 . . . . 0.0 110.08 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.53 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 168.26 -32.64 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.517 -0.74 . . . . 0.0 110.446 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.51 ' HG3' ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -59.43 124.12 19.01 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.229 -0.919 . . . . 0.0 111.099 -178.868 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.38 129.65 37.71 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.216 -0.928 . . . . 0.0 109.491 179.281 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.659 HG11 HG13 ' A' ' 13' ' ' VAL . 89.3 t -98.68 114.44 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.403 -0.811 . . . . 0.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.692 ' HB2' HG22 ' A' ' 45' ' ' ILE . 12.1 m-70 -129.83 126.55 38.31 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.073 -1.017 . . . . 0.0 110.401 -179.493 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.618 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 57.7 m-85 -105.37 140.99 37.64 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.439 -0.788 . . . . 0.0 110.025 179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mmtm -147.61 132.13 17.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.152 -0.968 . . . . 0.0 109.833 179.589 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.63 HG11 ' CG ' ' A' ' 31' ' ' GLU . 35.8 t -95.61 149.45 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.141 -0.974 . . . . 0.0 109.214 179.644 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -100.79 -51.5 3.55 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.061 -1.024 . . . . 0.0 110.01 -179.473 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -148.81 132.89 17.25 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.298 -0.876 . . . . 0.0 109.983 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.63 ' CG ' HG11 ' A' ' 28' ' ' VAL . 18.2 mt-10 -125.48 112.09 15.84 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.599 -0.688 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 49.86 -124.98 2.12 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.291 -0.881 . . . . 0.0 110.176 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.99 -80.35 0.3 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.558 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 36.6 Cg_endo -81.04 -79.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.315 -1.222 0 C-N-CA 122.434 2.089 . . . . 0.0 110.662 179.833 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 169.38 52.58 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.541 -0.724 . . . . 0.0 109.564 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -174.08 34.74 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.057 -1.027 . . . . 0.0 110.439 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.2 mtt -154.23 62.48 0.7 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.166 -0.959 . . . . 0.0 108.745 179.8 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HE2' " H4'" ' B' ' 3' ' ' ' A' . 33.9 mttt -68.6 71.62 0.21 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.464 -0.772 . . . . 0.0 110.395 -179.103 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -135.06 104.42 5.93 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.257 -0.902 . . . . 0.0 109.047 179.708 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.531 ' CE2' ' HB3' ' A' ' 31' ' ' GLU . 39.9 m-85 -91.69 103.88 16.41 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.096 -1.002 . . . . 0.0 109.893 -179.398 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.454 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 2.1 mp -90.55 92.06 3.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.119 -0.988 . . . . 0.0 109.926 -179.809 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.1 m -93.51 122.01 35.5 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.223 -0.923 . . . . 0.0 109.664 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -97.31 159.99 14.59 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.257 -0.902 . . . . 0.0 109.491 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.618 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -143.51 147.06 33.92 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.098 -1.001 . . . . 0.0 110.526 -179.731 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.692 HG22 ' HB2' ' A' ' 25' ' ' HIS . 16.4 tt -122.75 145.28 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 179.035 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.673 HG11 HD11 ' A' ' 73' ' ' LEU . 13.5 p -140.96 100.99 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 CA-C-O 121.855 0.836 . . . . 0.0 109.717 -179.58 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.51 ' HA3' ' HG3' ' A' ' 22' ' ' MET . . . 62.86 -99.78 0.29 Allowed Glycine 0 N--CA 1.502 3.037 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.648 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.9 p -117.17 15.49 14.96 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.33 -1.1 . . . . 0.0 110.574 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.401 ' HB ' ' CG1' ' A' ' 46' ' ' VAL . 48.5 mm -121.51 145.24 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.017 -1.052 . . . . 0.0 109.501 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.486 HG22 HG13 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -132.45 143.67 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 O-C-N 121.076 -1.015 . . . . 0.0 109.275 179.604 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -145.25 140.49 27.88 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.639 -0.663 . . . . 0.0 110.056 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.5 pm0 -99.04 144.14 28.52 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.968 -1.082 . . . . 0.0 110.065 179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 55' ' ' GLY . . . -119.96 80.58 0.33 Allowed Glycine 0 N--CA 1.497 2.745 0 N-CA-C 110.254 -1.138 . . . . 0.0 110.254 -179.44 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.483 ' HG3' ' NH1' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -65.35 66.99 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 CA-C-O 121.714 0.768 . . . . 0.0 110.864 179.891 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.546 ' HA3' ' CA ' ' A' ' 61' ' ' SER . . . -73.06 135.77 21.76 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 120.409 -1.432 . . . . 0.0 110.788 -179.636 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -82.4 -58.67 2.83 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 121.381 -1.07 . . . . 0.0 110.254 179.611 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 168.35 -29.34 0.16 Allowed Glycine 0 N--CA 1.504 3.225 0 O-C-N 120.963 -1.085 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' O ' HG23 ' A' ' 60' ' ' VAL . 75.7 tttt -69.56 70.14 0.28 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.018 -1.283 . . . . 0.0 109.559 179.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.06 18.89 10.54 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.393 -0.817 . . . . 0.0 109.715 -178.852 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.562 ' O ' ' CB ' ' A' ' 61' ' ' SER . 2.6 t -115.23 157.02 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.297 -0.877 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 3.5 t 94.0 120.13 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.258 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 61' ' ' SER . 2.8 ttpp 81.41 -59.09 0.24 Allowed 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 -177.005 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.547 ' O ' ' HG3' ' A' ' 67' ' ' GLU . 19.9 tttm -69.98 -66.23 0.62 Allowed 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.12 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.543 ' HD3' ' CG1' ' A' ' 60' ' ' VAL . 18.1 ttt180 -46.94 -39.2 11.87 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.468 -0.77 . . . . 0.0 109.927 178.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.32 -50.33 73.27 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.365 -0.834 . . . . 0.0 109.686 179.757 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.37 -48.02 37.54 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.222 -0.923 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.549 ' HG2' ' HG3' ' A' ' 9' ' ' PRO . 3.1 mt-10 -53.56 -41.58 66.65 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.28 -0.888 . . . . 0.0 109.244 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.532 ' HE3' ' CG2' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -62.28 -54.86 34.6 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.464 -0.772 . . . . 0.0 109.808 179.544 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.516 ' HA ' ' CG ' ' A' ' 72' ' ' GLU . 1.9 ttt -59.21 -39.5 82.88 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.429 -0.794 . . . . 0.0 110.261 179.746 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.655 ' CD2' HG23 ' A' ' 13' ' ' VAL . 20.0 mt -57.93 -44.16 86.73 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.134 -0.979 . . . . 0.0 110.962 -179.646 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.532 ' CG2' ' HE3' ' A' ' 68' ' ' LYS . 30.6 m -73.33 -41.67 57.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.762 -1.211 . . . . 0.0 110.97 -179.264 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.516 ' CG ' ' HA ' ' A' ' 69' ' ' MET . 5.5 pt-20 -68.14 -46.16 71.59 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.72 -1.237 . . . . 0.0 109.628 179.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.673 HD11 HG11 ' A' ' 46' ' ' VAL . 55.1 mt -59.32 -36.26 75.31 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.093 -1.004 . . . . 0.0 109.375 178.826 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -79.65 0.38 30.51 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.229 -0.919 . . . . 0.0 110.32 179.166 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -113.78 -7.4 13.25 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.899 -1.125 . . . . 0.0 111.153 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.1 mt . . . . . 0 N--CA 1.493 1.701 0 O-C-N 120.901 -1.124 . . . . 0.0 110.125 -179.386 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.545 " H5'" ' OP1' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.5 0 O4'-C1'-N19 111.222 3.022 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.545 ' OP1' " H5'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.931 0 C5'-C4'-C3' 110.835 -3.11 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.441 " H4'" ' HE2' ' A' ' 38' ' ' LYS . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.036 2.836 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.438 " H2'" ' C8 ' ' B' ' 5' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.439 2.053 0 O4'-C1'-N19 111.121 2.921 . 0.323 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.438 ' C8 ' " H2'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.986 0 O4'-C1'-N19 111.069 2.869 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 C5'-C4'-C3' 111.188 -2.875 . 0.41 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.021 0 C5'-C4'-C3' 111.24 -2.84 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.095 0 C5'-C4'-C3' 111.084 -2.944 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.091 0 C5'-C4'-C3' 111.454 -2.697 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.093 0 C5'-C4'-C3' 111.305 -2.797 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.575 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.003 0 O4'-C1'-N19 110.985 2.785 . 0.016 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.61 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.173 0 O4'-C1'-N19 111.133 2.933 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.598 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.179 0 O4'-C1'-N19 111.059 2.859 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.738 HO2' ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.28 0 C3'-C2'-C1' 104.599 3.444 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.565 " O5'" ' H6 ' ' B' ' 15' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.286 0 C5'-C4'-C3' 111.378 -2.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.738 ' H5 ' HO2' ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.159 0 C5'-C4'-C3' 111.321 -2.786 . 0.447 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.872 ' N3 ' " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.175 0 C5'-C4'-C3' 110.91 -3.06 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.456 " O4'" ' N2 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.429 -2.025 0 C5'-C4'-C3' 111.457 -2.695 . 0.01 1f . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.432 ' H21' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.037 0 C5'-C4'-C3' 110.937 -3.042 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.432 " H1'" ' H21' ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.86 0 C5'-C4'-C3' 110.837 -3.109 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.871 0 O4'-C1'-N19 111.136 2.936 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.586 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.918 0 O4'-C1'-N19 111.015 2.815 . 0.231 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.409 ' N3 ' " H2'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.075 0 C5'-C4'-C3' 111.339 -2.774 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.071 0 C5'-C4'-C3' 111.225 -2.85 . 0.206 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.937 0 C5'-C4'-C3' 111.232 -2.845 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.053 0 C5'-C4'-C3' 110.934 -3.044 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.811 0 C5'-C4'-C3' 111.126 -2.916 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.542 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.931 0 C5'-C4'-C3' 111.356 -2.763 . 0.054 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.61 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.069 0 C5'-C4'-C3' 111.256 -2.829 . 0.17 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.449 ' N3 ' ' N1 ' ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.012 0 C5'-C4'-C3' 111.194 -2.871 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -125.34 51.62 1.68 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-O 121.893 0.854 . . . . 0.0 109.904 -178.582 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.7 mp0 -97.17 95.2 7.58 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.894 -1.129 . . . . 0.0 109.731 -179.75 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' O ' ' HD2' ' A' ' 6' ' ' LYS . . . -167.67 -81.09 0.05 OUTLIER Glycine 0 N--CA 1.504 3.174 0 C-N-CA 119.593 -1.289 . . . . 0.0 111.454 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.563 ' O ' ' NZ ' ' A' ' 6' ' ' LYS . 26.9 t0 62.12 57.26 2.07 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.506 -0.997 . . . . 0.0 109.765 -178.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.563 ' NZ ' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -150.5 -68.48 0.19 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 120.671 -1.268 . . . . 0.0 109.572 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -67.28 89.4 0.2 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.266 -0.897 . . . . 0.0 109.383 179.525 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.627 ' CB ' ' HB2' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -102.81 144.62 28.98 Favored Pre-proline 0 N--CA 1.498 1.937 0 O-C-N 121.391 -0.818 . . . . 0.0 110.534 -179.155 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -78.78 -59.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.312 -1.377 0 C-N-CA 122.816 2.344 . . . . 0.0 111.802 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mt -136.84 -46.3 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.205 0 O-C-N 120.776 -1.203 . . . . 0.0 111.119 -178.806 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.6 p -44.95 -73.4 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.284 -0.885 . . . . 0.0 111.482 -178.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.627 ' HB2' ' CB ' ' A' ' 8' ' ' SER . 0.4 OUTLIER -58.11 -30.05 65.97 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.939 -1.101 . . . . 0.0 110.338 -179.266 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.019 HG22 HD21 ' A' ' 70' ' ' LEU . 75.4 t -60.75 -41.8 89.76 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.62 -1.3 . . . . 0.0 107.817 177.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -65.66 -34.43 78.2 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.599 ' OE2' " H4'" ' B' ' 15' ' ' ' U' . 1.9 tm-20 -51.01 -51.12 56.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.614 -0.679 . . . . 0.0 109.217 178.661 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.638 HD13 HD13 ' A' ' 73' ' ' LEU . 14.5 tt -78.88 -38.4 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 120.927 -1.108 . . . . 0.0 110.3 179.493 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.66 -49.37 74.42 Favored Glycine 0 N--CA 1.504 3.231 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.843 HG22 ' O ' ' A' ' 18' ' ' ILE . 2.9 mp -81.66 39.99 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.302 -1.116 . . . . 0.0 109.185 179.221 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.592 ' HE2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -144.85 -46.53 0.24 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.455 -1.403 . . . . 0.0 109.808 -179.547 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -98.92 35.15 1.93 Allowed 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.119 -0.988 . . . . 0.0 110.12 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 50.06 39.73 19.84 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.174 -0.954 . . . . 0.0 109.851 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.733 ' HB3' HG22 ' A' ' 46' ' ' VAL . 15.6 mtt -106.31 108.86 20.59 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.955 -1.091 . . . . 0.0 110.259 -179.35 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.443 ' HB ' ' NE2' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -70.17 86.85 0.57 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.254 -0.904 . . . . 0.0 109.362 179.524 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.013 HG22 HG23 ' A' ' 46' ' ' VAL . 93.0 t -79.27 112.35 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.717 -0.614 . . . . 0.0 109.797 -179.53 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.773 ' HB2' HG22 ' A' ' 45' ' ' ILE . 8.5 m-70 -128.85 151.01 50.09 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.944 -1.098 . . . . 0.0 109.881 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CE1' ' CB ' ' A' ' 44' ' ' CYS . 78.7 m-85 -130.41 135.98 48.58 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.344 -0.847 . . . . 0.0 110.133 -179.713 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 12.5 tmtt? -154.22 126.71 8.01 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.135 -0.978 . . . . 0.0 110.124 179.777 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.773 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 46.0 t -76.07 135.29 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.97 -1.081 . . . . 0.0 109.439 179.62 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.748 HD21 ' HB2' ' A' ' 43' ' ' ALA . 7.5 mt -73.75 -60.97 2.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.02 -1.05 . . . . 0.0 109.603 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -170.98 153.37 3.8 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 121.451 0.643 . . . . 0.0 110.39 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' N ' ' CD ' ' A' ' 31' ' ' GLU . 10.5 mp0 -104.92 143.91 32.51 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -73.06 63.26 0.67 Allowed 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.94 -1.1 . . . . 0.0 110.3 -179.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' O ' ' HG2' ' A' ' 37' ' ' MET . . . 104.19 169.77 24.98 Favored Glycine 0 N--CA 1.5 2.955 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.561 ' O ' " H4'" ' B' ' 4' ' ' ' C' . 36.3 Cg_endo -78.7 -28.83 3.94 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.358 2.039 . . . . 0.0 111.209 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.544 ' HA ' " H4'" ' B' ' 4' ' ' ' C' . . . -150.9 170.32 19.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.105 -0.997 . . . . 0.0 109.941 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 66.05 12.46 8.48 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.503 -0.748 . . . . 0.0 110.582 -179.656 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -99.7 -39.91 8.02 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.864 -1.148 . . . . 0.0 109.817 179.639 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.5 36.87 3.83 Favored 'General case' 0 N--CA 1.484 1.274 0 O-C-N 121.507 -0.745 . . . . 0.0 111.418 179.399 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 56' ' ' ASN . 13.4 p30 -151.35 144.17 24.45 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.17 -0.956 . . . . 0.0 108.939 178.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -142.98 108.97 5.18 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.168 -0.957 . . . . 0.0 110.5 -178.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.692 ' HA ' ' HA ' ' A' ' 54' ' ' GLU . 3.0 mp -77.99 98.11 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.001 -1.062 . . . . 0.0 109.575 179.614 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.773 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 57.9 m -102.54 128.16 49.3 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.175 -0.953 . . . . 0.0 109.738 -179.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.748 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -100.73 149.36 23.89 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.128 -0.983 . . . . 0.0 109.656 179.479 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.588 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 31.3 p -132.71 140.81 48.27 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.829 ' HA ' HG11 ' A' ' 50' ' ' VAL . 16.6 tt -126.34 136.6 60.34 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-O 121.071 0.462 . . . . 0.0 110.3 -179.26 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.013 HG23 HG22 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -135.56 148.05 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.223 -0.923 . . . . 0.0 109.616 179.78 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . -42.77 126.51 4.74 Favored Glycine 0 N--CA 1.502 3.039 0 O-C-N 121.206 -0.934 . . . . 0.0 110.867 -179.36 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 11.8 p 97.49 -56.21 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.702 0 C-N-CA 122.811 0.444 . . . . 0.0 111.402 179.599 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.682 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -163.29 -170.47 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.337 0 O-C-N 120.664 -1.273 . . . . 0.0 109.983 -179.425 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.829 HG11 ' HA ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER 172.37 -162.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.161 -0.962 . . . . 0.0 111.474 179.368 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.782 ' N ' HG13 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -168.92 -176.44 2.66 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.455 -0.778 . . . . 0.0 109.737 -179.929 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.586 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.7 mp0 -114.53 -176.93 3.01 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.01 -1.056 . . . . 0.0 110.066 -179.496 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.84 105.24 0.27 Allowed Glycine 0 N--CA 1.497 2.754 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -179.572 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.692 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 1.3 pm0 -84.13 52.46 2.32 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.44 -1.035 . . . . 0.0 110.098 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.68 ' HA3' ' HB ' ' A' ' 60' ' ' VAL . . . -47.12 125.19 9.48 Favored Glycine 0 N--CA 1.503 3.12 0 O-C-N 121.021 -1.05 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 39' ' ' ASN . 0.4 OUTLIER -128.44 37.74 4.08 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.377 -1.072 . . . . 0.0 110.45 -179.588 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.621 ' H ' HG21 ' A' ' 60' ' ' VAL . . . -125.88 -111.15 1.78 Allowed Glycine 0 N--CA 1.501 2.967 0 O-C-N 120.723 -1.235 . . . . 0.0 110.636 -179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -128.51 140.95 51.54 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.307 -1.114 . . . . 0.0 109.192 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 tptt 51.64 37.16 19.21 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 121.332 -0.855 . . . . 0.0 109.062 -178.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.68 ' HB ' ' HA3' ' A' ' 55' ' ' GLY . 18.5 m -104.36 142.87 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.315 -0.866 . . . . 0.0 110.714 -179.035 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.549 ' HB3' ' O ' ' A' ' 60' ' ' VAL . 59.2 p 151.92 -90.91 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.242 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.292 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -66.58 -49.58 65.9 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.644 ' HE2' ' OE2' ' A' ' 67' ' ' GLU . 30.3 tttt -57.7 -38.18 74.78 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.348 -0.845 . . . . 0.0 110.289 179.284 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -52.92 27.32 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.921 -1.112 . . . . 0.0 109.494 179.694 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.77 -39.91 94.4 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.383 -0.823 . . . . 0.0 109.255 179.488 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.34 65.86 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.322 -0.861 . . . . 0.0 110.038 179.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.644 ' OE2' ' HE2' ' A' ' 63' ' ' LYS . 5.2 mt-10 -56.16 -39.28 72.09 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.165 -0.959 . . . . 0.0 109.223 179.111 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.694 ' HE2' ' OG1' ' A' ' 51' ' ' THR . 1.9 tptt -63.45 -43.61 96.9 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.709 ' HG2' HD23 ' A' ' 73' ' ' LEU . 22.2 ttm -67.67 -50.68 56.54 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.274 -0.891 . . . . 0.0 109.32 178.474 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.019 HD21 HG22 ' A' ' 13' ' ' VAL . 90.0 mt -51.18 -49.35 61.12 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.363 -0.836 . . . . 0.0 110.104 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 68' ' ' LYS . 5.7 p -67.55 -34.75 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.913 -1.117 . . . . 0.0 109.408 179.516 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.412 ' OE2' ' HE2' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -62.81 -48.87 77.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.481 -0.762 . . . . 0.0 109.624 179.368 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.709 HD23 ' HG2' ' A' ' 69' ' ' MET . 1.2 pp -79.56 -28.99 41.17 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.056 -1.028 . . . . 0.0 110.84 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -75.27 4.79 6.45 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.748 -1.22 . . . . 0.0 110.381 179.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.29 -3.47 15.31 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.887 -1.133 . . . . 0.0 110.589 179.754 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.2 mt . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.893 -1.051 . . . . 0.0 110.166 -179.878 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.007 0 O4'-C1'-N19 111.049 2.849 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.454 ' C6 ' ' N7 ' ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 1.972 0 O4'-C1'-N19 111.08 2.88 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.454 ' N7 ' ' C6 ' ' B' ' 2' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.105 0 C5'-C4'-C3' 110.782 -3.145 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.561 " H4'" ' O ' ' A' ' 34' ' ' PRO . . . . . . . . 0 O4'--C1' 1.442 2.346 0 O4'-C1'-N19 110.959 2.759 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.861 0 C5'-C4'-C3' 111.115 -2.923 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.949 0 C5'-C4'-C3' 111.05 -2.967 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.931 0 C5'-C4'-C3' 111.098 -2.934 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.033 0 C5'-C4'-C3' 111.251 -2.833 . 0.157 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.097 0 C5'-C4'-C3' 111.183 -2.878 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.032 0 C5'-C4'-C3' 111.31 -2.794 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.002 0 C5'-C4'-C3' 111.066 -2.956 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.419 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.034 0 C5'-C4'-C3' 111.206 -2.862 . 0.104 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.534 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.153 0 C5'-C4'-C3' 111.237 -2.842 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.426 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.629 0 C3'-C2'-C1' 104.53 3.366 . 0.052 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.599 " H4'" ' OE2' ' A' ' 15' ' ' GLU . . . . . . . . 0 O4'--C4' 1.43 -1.957 0 C5'-C4'-C3' 111.263 -2.824 . 0.058 1z . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.524 " H4'" " O5'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.431 -1.794 0 O4'-C1'-N19 111.306 3.106 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.793 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.202 0 O4'-C1'-N19 111.321 3.121 . 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.793 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.095 0 C5'-C4'-C3' 111.421 -2.719 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.412 ' H21' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.128 0 C5'-C4'-C3' 110.813 -3.125 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.412 " H1'" ' H21' ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.937 0 C5'-C4'-C3' 111.117 -2.922 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.921 0 C5'-C4'-C3' 111.228 -2.848 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.079 0 C5'-C4'-C3' 111.094 -2.937 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.032 0 C5'-C4'-C3' 111.343 -2.771 . 0.027 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.916 0 C5'-C4'-C3' 111.22 -2.853 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -1.991 0 C5'-C4'-C3' 111.125 -2.917 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.03 0 C5'-C4'-C3' 111.09 -2.94 . 0.32 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.424 " H2'" ' C6 ' ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.111 0 O4'-C1'-N19 110.874 2.674 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.431 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.975 0 C5'-C4'-C3' 111.171 -2.886 . 0.33 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.339 0 C5'-C4'-C3' 110.998 -3.001 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O4'-C1'-N19 111.054 2.854 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mmt . . . . . 0 N--CA 1.495 1.783 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -131.97 -167.99 1.96 Allowed 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.644 -176.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -75.6 142.13 42.73 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.215 -0.928 . . . . 0.0 110.153 -179.476 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.488 ' O ' ' HE3' ' A' ' 6' ' ' LYS . . . 173.19 174.81 40.52 Favored Glycine 0 N--CA 1.498 2.824 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.465 ' O ' ' HE2' ' A' ' 6' ' ' LYS . 38.8 t70 -70.33 174.62 5.43 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.911 -0.758 . . . . 0.0 110.5 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.488 ' HE3' ' O ' ' A' ' 4' ' ' GLY . 0.0 OUTLIER -140.53 119.6 12.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.07 -1.019 . . . . 0.0 109.256 179.715 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' HE3' " H4'" ' B' ' 13' ' ' ' C' . 1.3 mptp? -59.78 143.18 51.71 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.145 -0.972 . . . . 0.0 110.275 -179.411 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.86 139.68 66.37 Favored Pre-proline 0 N--CA 1.497 1.893 0 O-C-N 121.241 -0.912 . . . . 0.0 109.758 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.455 ' O ' ' HB ' ' A' ' 13' ' ' VAL . 33.1 Cg_endo -72.73 -28.23 14.08 Favored 'Trans proline' 0 C--N 1.314 -1.261 0 C-N-CA 122.318 2.012 . . . . 0.0 110.619 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.68 -42.32 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.396 -0.815 . . . . 0.0 109.01 179.025 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.49 -62.16 1.58 Allowed 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.323 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.492 ' HA ' ' CD ' ' A' ' 15' ' ' GLU . 24.3 mt-30 -50.6 -40.94 54.02 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.388 -0.82 . . . . 0.0 111.253 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.707 HG21 ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -66.4 -40.31 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 120.539 -1.351 . . . . 0.0 109.128 179.721 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.485 ' O ' ' HB ' ' A' ' 18' ' ' ILE . 10.6 m-70 -73.69 -28.93 61.99 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 177.76 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 4.1 mt-10 -55.25 -52.39 63.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.475 -0.765 . . . . 0.0 109.395 178.762 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.9 pt -100.91 -34.94 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.193 -0.942 . . . . 0.0 110.128 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.587 ' HA3' HG21 ' A' ' 24' ' ' VAL . . . -64.33 -36.48 93.25 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 178.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.629 HG22 ' N ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -99.99 -61.5 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.306 -1.114 . . . . 0.0 108.193 178.664 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.629 ' N ' HG22 ' A' ' 18' ' ' ILE . 4.3 ttmt 35.62 -94.75 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.019 0.438 . . . . 0.0 110.332 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ILE . 2.4 ppt_? -164.43 27.44 0.07 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.109 -0.995 . . . . 0.0 109.709 178.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.14 -3.9 0.42 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.994 -1.066 . . . . 0.0 111.72 -179.348 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 3.1 mmt -133.9 140.48 46.84 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.848 -1.158 . . . . 0.0 109.208 179.774 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.404 ' OG1' ' HA2' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -93.26 82.53 4.52 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.865 -1.147 . . . . 0.0 110.904 -178.878 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.834 HG22 HG12 ' A' ' 46' ' ' VAL . 41.4 t -94.97 108.07 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.732 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -134.85 145.07 47.95 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.943 -1.098 . . . . 0.0 111.2 -178.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.495 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 72.6 m-85 -122.84 112.81 18.33 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -123.84 136.77 54.59 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.399 -0.813 . . . . 0.0 109.886 -179.446 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.548 ' HB ' ' HB2' ' A' ' 32' ' ' GLU . 44.1 t -85.47 156.67 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.904 -1.122 . . . . 0.0 109.688 179.564 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.786 HD21 ' HB2' ' A' ' 43' ' ' ALA . 7.3 mt -99.81 -38.52 8.63 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.016 -1.053 . . . . 0.0 109.587 179.729 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -108.72 142.84 38.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.504 -0.748 . . . . 0.0 110.333 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 32' ' ' GLU . 16.2 tp10 61.32 -103.5 0.15 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.543 -0.723 . . . . 0.0 110.918 179.149 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.548 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 39.0 tt0 70.38 163.06 0.25 Allowed 'General case' 0 N--CA 1.507 2.399 0 O-C-N 121.145 -0.972 . . . . 0.0 110.326 -179.639 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . . . 133.65 -172.57 21.55 Favored Glycine 0 N--CA 1.499 2.857 0 O-C-N 120.751 -1.218 . . . . 0.0 110.398 179.486 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' O ' ' NZ ' ' A' ' 38' ' ' LYS . 32.9 Cg_endo -75.87 -76.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.241 1.961 . . . . 0.0 110.199 179.758 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -96.57 3.75 52.41 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.355 -0.84 . . . . 0.0 110.362 179.208 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.528 ' O ' ' C ' ' A' ' 37' ' ' MET . 1.9 m-70 -71.56 64.16 0.43 Allowed 'General case' 0 N--CA 1.503 2.195 0 O-C-N 120.939 -1.101 . . . . 0.0 110.696 -179.722 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.528 ' C ' ' O ' ' A' ' 36' ' ' HIS . 60.7 mtp 22.0 69.85 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.488 0 CA-C-O 121.267 0.556 . . . . 0.0 111.829 179.34 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' NZ ' ' O ' ' A' ' 34' ' ' PRO . 12.7 mtmm -48.55 121.71 4.79 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.227 -0.921 . . . . 0.0 110.344 -179.874 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.643 ' HA ' ' HB3' ' A' ' 61' ' ' SER . 30.0 p30 -175.05 -173.49 0.69 Allowed 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.773 -0.58 . . . . 0.0 110.532 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' O ' ' C ' ' A' ' 41' ' ' ILE . 24.3 m-85 80.51 137.04 0.06 Allowed 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.884 -0.51 . . . . 0.0 110.051 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.564 ' C ' ' O ' ' A' ' 40' ' ' PHE . 93.7 mt -16.76 107.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.682 0 CA-C-O 121.355 0.598 . . . . 0.0 111.306 179.746 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.783 ' HB ' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -95.26 135.92 36.26 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.506 -0.746 . . . . 0.0 109.082 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.786 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -94.2 126.4 39.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.354 -0.842 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.495 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 20.7 p -121.56 147.52 45.7 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.826 -1.172 . . . . 0.0 110.373 -179.615 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.578 ' HB ' HG13 ' A' ' 50' ' ' VAL . 19.2 tt -134.9 145.41 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.511 -0.743 . . . . 0.0 109.868 -179.805 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.834 HG12 HG22 ' A' ' 24' ' ' VAL . 15.6 m -140.9 97.63 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.486 -0.759 . . . . 0.0 109.821 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' HA2' ' OG1' ' A' ' 23' ' ' THR . . . 68.55 -95.86 0.4 Allowed Glycine 0 N--CA 1.502 3.041 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -119.38 14.2 12.84 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.4 -1.059 . . . . 0.0 110.841 -179.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.432 ' HB ' HG23 ' A' ' 46' ' ' VAL . 98.5 mt -119.87 134.7 62.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.881 -1.137 . . . . 0.0 109.639 179.844 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.578 HG13 ' HB ' ' A' ' 45' ' ' ILE . 0.4 OUTLIER -129.58 143.02 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.148 -0.97 . . . . 0.0 109.486 179.766 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.58 139.26 18.82 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.518 -0.738 . . . . 0.0 109.397 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.454 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 22.4 mt-10 -115.79 149.9 37.79 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.855 -1.153 . . . . 0.0 110.254 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 54' ' ' GLU . . . 156.75 160.34 10.02 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 109.194 -1.563 . . . . 0.0 109.194 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.719 ' CD ' ' HA ' ' A' ' 61' ' ' SER . 2.8 tt0 173.75 -107.83 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.381 -1.07 . . . . 0.0 109.758 -179.508 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.85 -157.23 12.48 Favored Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.479 ' HB3' ' HD1' ' A' ' 40' ' ' PHE . 0.3 OUTLIER 171.78 104.19 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.382 -1.069 . . . . 0.0 109.841 179.661 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 151.8 -23.95 0.92 Allowed Glycine 0 N--CA 1.498 2.82 0 C-N-CA 119.385 -1.388 . . . . 0.0 111.171 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.27 -163.52 1.53 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.806 -1.408 . . . . 0.0 109.213 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -74.37 66.04 1.29 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.79 -1.194 . . . . 0.0 109.227 179.742 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.588 HG23 ' HB2' ' A' ' 64' ' ' ARG . 0.1 OUTLIER -124.37 142.56 40.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.48 -0.762 . . . . 0.0 110.114 -179.479 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.719 ' HA ' ' CD ' ' A' ' 54' ' ' GLU . 57.3 p 162.85 -91.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.792 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -22.71 13.82 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.11 -0.994 . . . . 0.0 109.774 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.3 mttp -88.5 -63.21 1.33 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.396 -0.815 . . . . 0.0 109.748 179.267 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.588 ' HB2' HG23 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -51.27 -57.58 8.47 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.619 -0.676 . . . . 0.0 112.153 -178.554 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.783 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -53.81 -38.77 64.89 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.793 -1.192 . . . . 0.0 109.126 -179.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.69 77.07 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.269 -0.894 . . . . 0.0 109.558 178.848 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -48.74 -48.36 40.77 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.389 -0.819 . . . . 0.0 109.108 179.166 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.449 ' O ' HG12 ' A' ' 71' ' ' VAL . 6.7 tmtt? -63.94 -46.47 84.59 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.712 -0.617 . . . . 0.0 109.96 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.538 ' HE1' HG22 ' A' ' 46' ' ' VAL . 2.7 mmt -62.84 -58.38 7.6 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.005 -1.059 . . . . 0.0 109.663 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.707 ' CD2' HG21 ' A' ' 13' ' ' VAL . 1.8 mm? -47.63 -53.19 15.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.46 -0.775 . . . . 0.0 110.824 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 68' ' ' LYS . 8.9 p -63.14 -31.18 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.032 -1.042 . . . . 0.0 110.312 -179.704 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.57 -54.33 9.46 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.117 -0.99 . . . . 0.0 109.99 179.615 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.61 -29.21 66.67 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.002 -1.061 . . . . 0.0 110.985 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -82.7 4.51 24.74 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.98 -1.075 . . . . 0.0 110.754 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.14 -0.84 8.29 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.971 -1.081 . . . . 0.0 110.907 -179.352 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 N--CA 1.488 1.457 0 O-C-N 121.145 -0.972 . . . . 0.0 110.073 -179.128 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.988 0 C5'-C4'-C3' 111.094 -2.938 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.19 0 O4'-C1'-N19 111.255 3.055 . 0.028 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.071 0 C5'-C4'-C3' 111.134 -2.911 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.638 " O5'" ' H6 ' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.195 0 O4'-C1'-N19 111.227 3.027 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.487 0 C5'-C4'-C3' 111.365 -2.756 . 0.033 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.145 0 C5'-C4'-C3' 111.334 -2.777 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.97 0 O4'-C1'-N19 111.068 2.868 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.413 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.028 0 O4'-C1'-N19 110.866 2.666 . 0.411 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.316 0 O4'-C1'-N19 111.002 2.802 . 0.588 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 2.217 0 O4'-C1'-N19 111.169 2.969 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.707 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.441 2.239 0 O4'-C1'-N19 111.157 2.957 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.707 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.429 -1.989 0 O4'-C1'-N19 110.757 2.557 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.511 " H4'" ' HE3' ' A' ' 7' ' ' LYS . . . . . . . . 0 O4'--C1' 1.441 2.215 0 O4'-C1'-N19 112.164 3.964 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.426 " H2'" ' C5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.391 0 C3'-C2'-C1' 104.453 3.281 . 0.28 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.455 " O2'" ' HB3' ' A' ' 15' ' ' GLU . . . . . . . . 0 O4'--C1' 1.441 2.231 0 C5'-C4'-C3' 111.131 -2.913 . 0.115 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.506 " O5'" ' H6 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.147 0 C5'-C4'-C3' 110.858 -3.094 . 0.014 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.682 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.184 0 O4'-C1'-N19 110.948 2.748 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.682 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.098 0 C5'-C4'-C3' 111.295 -2.803 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.958 0 O4'-C1'-N19 111.013 2.813 . 0.038 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C5'-C4'-C3' 111.364 -2.757 . 0.283 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.069 0 C5'-C4'-C3' 111.122 -2.919 . 0.043 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.893 0 C5'-C4'-C3' 111.318 -2.788 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.968 0 C5'-C4'-C3' 111.255 -2.83 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . 0.482 " H2'" " O4'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.025 0 O4'-C1'-N19 110.969 2.769 . 0.363 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.482 " O4'" " H2'" ' B' ' 24' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 1.986 0 O4'-C1'-N19 111.124 2.924 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.065 0 C5'-C4'-C3' 111.335 -2.776 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.98 0 C5'-C4'-C3' 111.346 -2.77 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.596 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.065 0 C5'-C4'-C3' 111.27 -2.82 . 0.093 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.043 0 C5'-C4'-C3' 110.904 -3.064 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.432 -1.775 0 O4'-C1'-N19 111.135 2.935 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 ttt . . . . . 0 N--CA 1.497 1.914 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.99 56.26 1.69 Allowed 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.804 0.812 . . . . 0.0 110.932 -176.525 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 54.42 -161.37 0.14 Allowed 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.256 -0.902 . . . . 0.0 110.839 178.455 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.53 146.24 15.32 Favored Glycine 0 N--CA 1.503 3.115 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.1 t70 37.21 50.72 1.01 Allowed 'General case' 0 N--CA 1.508 2.435 0 O-C-N 121.784 -0.833 . . . . 0.0 111.154 -179.319 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.76 45.17 0.58 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.245 -1.534 . . . . 0.0 109.724 179.145 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 8' ' ' SER . 11.7 ttmt -93.52 -39.05 11.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.425 -0.797 . . . . 0.0 109.696 179.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.596 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 4.1 p 175.14 173.84 0.26 Allowed Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.358 -0.839 . . . . 0.0 109.352 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.596 ' HD2' ' HB2' ' A' ' 8' ' ' SER . 32.6 Cg_endo -73.95 73.78 3.6 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 121.746 1.631 . . . . 0.0 111.796 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 11' ' ' SER . 4.3 mt -138.78 -80.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.906 -1.122 . . . . 0.0 110.125 179.006 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.489 ' OG ' ' N2 ' ' B' ' 18' ' ' ' G' . 0.2 OUTLIER -51.58 -59.01 4.74 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.032 -1.043 . . . . 0.0 109.41 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -46.69 -42.48 16.58 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.501 -0.75 . . . . 0.0 110.058 178.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.81 HG22 HD11 ' A' ' 70' ' ' LEU . 99.5 t -63.59 -46.51 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.145 -0.972 . . . . 0.0 109.027 179.452 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.902 ' HA ' HG21 ' A' ' 24' ' ' VAL . 9.4 m-70 -61.19 -45.95 92.48 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.782 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' HB3' " O2'" ' B' ' 15' ' ' ' U' . 43.5 mt-10 -60.06 -50.99 71.55 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.664 -0.647 . . . . 0.0 109.725 179.22 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.5 mt -59.71 -36.48 65.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.06 -1.025 . . . . 0.0 109.065 179.282 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.04 -42.14 96.81 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.626 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -85.75 -38.11 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 O-C-N 120.912 -1.346 . . . . 0.0 109.134 179.438 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -56.26 -26.31 51.17 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.263 -0.898 . . . . 0.0 110.644 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -109.99 -76.29 0.61 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.168 -0.958 . . . . 0.0 109.62 179.875 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 p30 168.4 47.93 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.439 -0.788 . . . . 0.0 109.793 -179.662 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.515 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 26.7 mtt -131.18 118.68 20.8 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.704 -1.247 . . . . 0.0 111.079 -179.302 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -68.17 106.18 2.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.189 -0.944 . . . . 0.0 108.816 178.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.902 HG21 ' HA ' ' A' ' 14' ' ' HIS . 18.4 t -72.9 103.73 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.166 -0.959 . . . . 0.0 109.629 -179.453 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.603 ' HB2' HG22 ' A' ' 45' ' ' ILE . 5.1 m-70 -124.09 112.5 17.2 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.878 -1.139 . . . . 0.0 109.836 -179.289 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CD2' ' HB3' ' A' ' 44' ' ' CYS . 9.8 m-85 -119.63 119.43 33.73 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.522 -0.736 . . . . 0.0 109.963 -179.158 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.622 ' NZ ' ' O ' ' A' ' 28' ' ' VAL . 8.3 tttm -142.1 141.46 32.72 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.767 -1.208 . . . . 0.0 111.269 -179.627 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.682 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.0 t -79.09 140.51 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.384 0 O-C-N 121.156 -0.965 . . . . 0.0 110.126 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 43' ' ' ALA . 9.8 mt -73.29 -43.15 61.5 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 178.555 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -100.94 -171.3 1.98 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.345 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -94.07 160.25 14.79 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 120.961 -1.087 . . . . 0.0 110.812 -179.334 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -82.0 103.94 11.99 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 178.559 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 38' ' ' LYS . . . -54.79 154.33 9.65 Favored Glycine 0 N--CA 1.508 3.445 0 O-C-N 121.471 -0.768 . . . . 0.0 113.262 -177.025 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.514 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 37.3 Cg_endo -80.38 97.64 1.05 Allowed 'Trans proline' 0 C--N 1.321 -0.91 0 C-N-CA 123.114 2.543 . . . . 0.0 110.641 179.213 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 69.8 -64.43 0.35 Allowed 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.442 -0.786 . . . . 0.0 110.387 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 37' ' ' MET . 72.8 m80 -73.51 100.57 3.31 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.068 -1.02 . . . . 0.0 109.404 179.787 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 36' ' ' HIS . 45.8 mtm 65.34 79.04 0.26 Allowed 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 121.553 0.692 . . . . 0.0 109.342 -179.435 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.613 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 33.0 mtpt -77.71 33.72 0.17 Allowed 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.106 -0.996 . . . . 0.0 111.124 -179.594 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.613 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 6.8 t30 167.88 178.25 0.03 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.437 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.506 ' HA ' ' HA ' ' A' ' 56' ' ' ASN . 64.7 m-85 -150.14 -65.28 0.21 Allowed 'General case' 0 N--CA 1.5 2.037 0 O-C-N 120.987 -1.071 . . . . 0.0 109.315 179.301 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.2 mt -140.74 120.46 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.264 -0.897 . . . . 0.0 108.857 179.401 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.682 ' HA ' ' HA ' ' A' ' 28' ' ' VAL . 89.0 m -107.32 122.43 46.55 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.208 -0.933 . . . . 0.0 109.55 -179.762 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.686 ' HB2' HD21 ' A' ' 29' ' ' LEU . . . -100.4 148.25 24.93 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.319 -0.863 . . . . 0.0 109.956 -179.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.55 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 1.2 p -138.49 145.73 41.15 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.371 -0.831 . . . . 0.0 109.362 179.682 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.657 HG13 HG22 ' A' ' 50' ' ' VAL . 18.6 tt -134.48 148.43 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.146 -0.972 . . . . 0.0 109.995 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.515 ' HB ' ' HB3' ' A' ' 22' ' ' MET . 8.9 m -139.23 158.32 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.534 -0.729 . . . . 0.0 109.202 179.479 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.28 67.79 0.03 OUTLIER Glycine 0 N--CA 1.506 3.302 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.1 t 171.13 -41.17 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.708 -0.877 . . . . 0.0 109.746 -179.741 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.471 HD11 HD23 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -158.83 -177.71 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.28 -0.887 . . . . 0.0 110.455 -179.597 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.657 HG22 HG13 ' A' ' 45' ' ' ILE . 2.7 t -129.53 157.69 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.159 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.502 HG21 ' HB3' ' A' ' 68' ' ' LYS . 1.8 m -150.69 156.04 40.54 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.894 -1.129 . . . . 0.0 110.535 -179.586 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.23 155.59 34.28 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.059 -1.025 . . . . 0.0 110.182 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.44 110.18 0.87 Allowed Glycine 0 N--CA 1.501 2.979 0 N-CA-C 109.109 -1.597 . . . . 0.0 109.109 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -68.3 54.93 0.08 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.413 -1.051 . . . . 0.0 112.198 -178.326 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.796 ' HA2' HG22 ' A' ' 60' ' ' VAL . . . -77.92 94.28 1.21 Allowed Glycine 0 N--CA 1.505 3.236 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 178.338 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -124.96 -44.15 1.94 Allowed 'General case' 0 N--CA 1.507 2.385 0 O-C-N 121.628 -0.925 . . . . 0.0 111.987 -178.287 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -82.76 -129.13 1.31 Allowed Glycine 0 N--CA 1.503 3.118 0 O-C-N 120.725 -1.234 . . . . 0.0 111.534 -177.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 6.7 mtpp -84.18 128.51 34.61 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.309 -1.112 . . . . 0.0 109.656 -179.31 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.537 ' O ' ' CG1' ' A' ' 60' ' ' VAL . 16.7 mtpt 64.75 -155.37 0.29 Allowed 'General case' 0 N--CA 1.5 2.028 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -179.19 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.852 HG23 ' HB2' ' A' ' 64' ' ' ARG . 6.1 p 51.43 143.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.515 2.777 0 CA-C-O 122.864 1.316 . . . . 0.0 113.225 179.9 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 60' ' ' VAL . 35.3 p 141.87 -88.08 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.487 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.889 179.515 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -67.94 -39.66 83.44 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.189 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' NZ ' ' OG ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -69.5 -61.36 1.82 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.431 -0.793 . . . . 0.0 108.998 177.99 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.852 ' HB2' HG23 ' A' ' 60' ' ' VAL . 31.1 ttt85 -49.43 -42.79 43.79 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.423 -0.798 . . . . 0.0 110.298 179.578 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.15 -42.76 73.51 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 108.534 178.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.409 ' N ' ' HE2' ' A' ' 26' ' ' PHE . . . -75.28 -39.3 59.85 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.427 -0.796 . . . . 0.0 109.906 178.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.533 ' CD ' ' HA ' ' A' ' 64' ' ' ARG . 13.0 mt-10 -48.51 -56.68 7.67 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.502 ' HB3' HG21 ' A' ' 51' ' ' THR . 0.6 OUTLIER -59.61 -50.68 72.95 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.865 -0.522 . . . . 0.0 109.926 179.006 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.401 ' HG2' ' OG1' ' A' ' 51' ' ' THR . 0.0 OUTLIER -50.08 -54.48 20.17 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.1 -1.0 . . . . 0.0 110.375 179.861 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.81 HD11 HG22 ' A' ' 13' ' ' VAL . 63.8 mt -66.68 -43.41 84.56 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.843 -1.16 . . . . 0.0 110.185 179.793 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 50.6 t -63.24 -29.14 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 O-C-N 121.085 -1.009 . . . . 0.0 110.128 179.654 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' HA ' ' NZ ' ' A' ' 75' ' ' LYS . 15.7 mt-10 -89.16 -42.91 11.4 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.795 -1.19 . . . . 0.0 109.878 -179.604 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.471 HD23 HD11 ' A' ' 49' ' ' ILE . 52.0 mt -69.87 -41.71 74.44 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.539 -0.726 . . . . 0.0 110.399 179.501 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -75.21 7.38 3.45 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.861 -1.149 . . . . 0.0 110.212 179.394 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 0.1 OUTLIER -124.52 5.95 8.28 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.323 -0.861 . . . . 0.0 109.936 -179.844 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 117.81 -1.091 . . . . 0.0 110.109 -179.662 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.848 0 C5'-C4'-C3' 111.23 -2.847 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 C5'-C4'-C3' 111.349 -2.768 . 0.0 OUTLIER '7D dist 1f' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.494 " H2'" " O4'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.073 0 C5'-C4'-C3' 111.009 -2.994 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.494 " O4'" " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.614 2.15 0 O4'-C1'-N19 111.321 3.121 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.456 " H5'" " O2'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.995 0 C5'-C4'-C3' 111.251 -2.832 . 0.27 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.161 0 O4'-C1'-N19 111.093 2.893 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.97 0 C5'-C4'-C3' 111.233 -2.845 . 0.35 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.188 0 C5'-C4'-C3' 111.185 -2.877 . 0.039 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.899 0 O4'-C1'-N19 111.039 2.839 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.52 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.014 0 C5'-C4'-C3' 111.214 -2.857 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.857 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.12 0 O4'-C1'-N19 111.096 2.896 . 0.152 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.857 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.998 0 O4'-C1'-N19 110.794 2.594 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.704 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.442 2.324 0 O4'-C1'-N19 112.059 3.859 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.704 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.424 -2.415 0 C3'-C2'-C1' 104.853 3.726 . 0.157 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.434 " O2'" ' HB3' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.614 2.051 0 O4'-C1'-N19 111.041 2.841 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.477 ' C5 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.073 0 C5'-C4'-C3' 111.358 -2.762 . 0.253 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.565 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.059 0 C5'-C4'-C3' 110.942 -3.038 . 0.158 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.565 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.12 0 C5'-C4'-C3' 111.044 -2.971 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.531 ' H21' " H1'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.824 0 C5'-C4'-C3' 110.846 -3.103 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.556 " O2'" " H5'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 2.015 0 O4'-C1'-N19 111.052 2.852 . 0.01 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.556 " H5'" " O2'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.612 1.943 0 C5'-C4'-C3' 111.104 -2.93 . 0.111 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.496 " O4'" " H2'" ' B' ' 21' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.159 0 C5'-C4'-C3' 111.117 -2.922 . 0.019 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 0.449 ' C8 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.898 0 C5'-C4'-C3' 111.255 -2.83 . 0.181 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.969 0 C5'-C4'-C3' 111.125 -2.917 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.539 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.975 0 O4'-C1'-N19 111.094 2.894 . 0.2 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.539 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.153 0 C5'-C4'-C3' 111.251 -2.833 . 0.179 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.041 0 C5'-C4'-C3' 111.396 -2.736 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.425 ' N3 ' ' N1 ' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.184 0 O4'-C1'-N19 111.056 2.856 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.123 0 O4'-C1'-N19 111.142 2.942 . 0.242 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.305 0 C5'-C4'-C3' 111.31 -2.794 . 0.401 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ptm . . . . . 0 N--CA 1.496 1.832 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 54.66 27.69 8.99 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-O 121.256 0.55 . . . . 0.0 111.225 179.416 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' OE2' ' NZ ' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -154.3 -174.72 5.08 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.862 -1.149 . . . . 0.0 109.704 179.529 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.08 -80.16 0.05 OUTLIER Glycine 0 N--CA 1.499 2.855 0 N-CA-C 110.142 -1.183 . . . . 0.0 110.142 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -95.19 177.39 5.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.379 -1.071 . . . . 0.0 109.797 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.431 ' NZ ' ' OE2' ' A' ' 3' ' ' GLU . 0.4 OUTLIER 176.35 -37.44 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.611 -0.681 . . . . 0.0 109.213 -179.856 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.542 ' C ' ' HD3' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -94.26 67.49 3.54 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.198 -0.939 . . . . 0.0 109.339 179.745 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.3 p -114.16 76.35 3.49 Favored Pre-proline 0 N--CA 1.498 1.958 0 O-C-N 121.354 -0.841 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.542 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 36.4 Cg_endo -79.93 -60.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.244 0 C-N-CA 122.563 2.176 . . . . 0.0 111.412 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.49 HG23 ' CD2' ' A' ' 14' ' ' HIS . 68.4 mt -137.87 -42.01 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.34 -0.85 . . . . 0.0 110.495 -178.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.43 -64.02 0.77 Allowed 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.275 -0.891 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -55.22 -36.03 65.54 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.351 -0.843 . . . . 0.0 110.471 -179.585 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.69 HG22 HD11 ' A' ' 70' ' ' LEU . 58.8 t -64.97 -43.75 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 120.581 -1.324 . . . . 0.0 108.491 178.826 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.521 ' HB3' ' C8 ' ' B' ' 17' ' ' ' G' . 10.8 m-70 -67.77 -38.71 83.78 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.811 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.57 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -66.03 -47.0 75.85 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.123 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.567 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 52.0 mt -58.71 -44.38 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.038 -1.039 . . . . 0.0 109.144 179.131 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.05 -50.83 57.99 Favored Glycine 0 N--CA 1.497 2.714 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 178.533 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 18' ' ' ILE . 37.5 mm -80.08 64.65 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 178.234 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -168.07 -38.36 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.283 -0.885 . . . . 0.0 109.728 -179.204 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.2 tpm_? -109.27 -53.22 2.68 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.097 -1.002 . . . . 0.0 110.525 179.623 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER 163.17 -18.64 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.645 0 O-C-N 121.798 -0.564 . . . . 0.0 111.45 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.498 ' HB3' ' HB ' ' A' ' 46' ' ' VAL . 1.1 mtp -75.56 127.64 33.52 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.758 -1.214 . . . . 0.0 111.655 -178.205 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 1.1 m -78.11 132.93 37.9 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.463 -0.773 . . . . 0.0 109.375 179.07 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.68 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.3 p -87.47 90.57 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.932 -1.105 . . . . 0.0 109.649 179.829 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.572 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 17.5 m-70 -108.42 114.21 27.88 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.786 -1.197 . . . . 0.0 110.288 -179.245 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -106.43 147.52 29.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 110.006 179.786 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -158.21 111.31 2.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.227 -0.921 . . . . 0.0 109.578 179.577 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.546 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 47.9 t -56.86 143.81 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.145 0 O-C-N 121.086 -1.009 . . . . 0.0 109.621 -179.741 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.793 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 12.6 mt -72.13 -50.6 26.67 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.277 -0.89 . . . . 0.0 109.131 -179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 30' ' ' ARG . 17.8 ptt-85 -163.63 111.21 1.17 Allowed 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.975 179.209 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' HG11 ' A' ' 28' ' ' VAL . 1.2 mm-40 66.02 162.92 0.16 Allowed 'General case' 0 N--CA 1.502 2.173 0 CA-C-O 121.686 0.755 . . . . 0.0 111.54 179.089 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.624 ' HG3' ' HE2' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -161.53 23.75 0.12 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.569 -0.707 . . . . 0.0 109.865 179.663 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.45 136.54 0.54 Allowed Glycine 0 N--CA 1.495 2.576 0 O-C-N 120.954 -1.091 . . . . 0.0 110.393 -179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.6 ' HG2' ' CE1' ' A' ' 36' ' ' HIS . 33.1 Cg_endo -76.36 68.39 6.83 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.407 2.071 . . . . 0.0 108.99 178.93 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 76.04 -58.16 0.55 Allowed 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -177.857 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.6 ' CE1' ' HG2' ' A' ' 34' ' ' PRO . 40.7 p-80 -92.5 164.56 13.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 109.03 178.37 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.604 ' HA ' ' HG3' ' A' ' 58' ' ' LYS . 1.9 tpp 58.37 41.41 23.09 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.063 -1.023 . . . . 0.0 110.479 -179.874 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -66.46 121.15 14.67 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.11 -0.994 . . . . 0.0 109.314 179.484 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.595 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . 2.2 m120 -133.35 -179.68 5.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.461 -0.774 . . . . 0.0 110.656 -179.189 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.639 ' CD1' ' N ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER 68.41 -149.09 0.14 Allowed 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.491 -0.756 . . . . 0.0 109.843 178.317 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 1.04 HG23 ' HB2' ' A' ' 65' ' ' ALA . 0.9 OUTLIER -151.88 -76.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.868 -1.145 . . . . 0.0 109.947 -179.436 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.767 ' N ' HG22 ' A' ' 41' ' ' ILE . 8.9 t 141.27 168.74 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.76 0 CA-C-O 121.751 0.786 . . . . 0.0 109.916 -179.537 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.793 ' HB2' ' CD2' ' A' ' 29' ' ' LEU . . . -107.71 153.14 23.37 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.072 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.564 ' HB3' ' SD ' ' A' ' 69' ' ' MET . 54.1 t -146.74 140.51 25.94 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.914 -1.116 . . . . 0.0 110.375 -179.543 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.572 ' CG2' ' HB2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -127.75 136.06 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.178 -0.952 . . . . 0.0 109.555 179.491 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.498 ' HB ' ' HB3' ' A' ' 22' ' ' MET . 6.7 m -127.52 107.45 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.467 -0.77 . . . . 0.0 109.806 -179.784 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.92 -104.48 0.67 Allowed Glycine 0 N--CA 1.499 2.873 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.9 p -113.6 16.19 18.74 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.347 -1.09 . . . . 0.0 110.704 -179.7 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.0 mt -123.39 134.53 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.913 -1.117 . . . . 0.0 109.825 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 45' ' ' ILE . 1.9 t -113.38 152.45 15.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.074 -1.016 . . . . 0.0 109.21 179.373 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.632 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 3.2 m -159.94 111.35 1.98 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.304 -0.872 . . . . 0.0 109.36 -179.947 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.597 ' HB3' ' HA ' ' A' ' 43' ' ' ALA . 2.1 pm0 -123.58 164.19 19.5 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.364 -0.835 . . . . 0.0 110.031 -179.24 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.522 ' O ' ' HB ' ' A' ' 41' ' ' ILE . . . -160.66 168.79 36.22 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.869 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.606 ' HA ' ' HB ' ' A' ' 41' ' ' ILE . 3.5 mt-10 -139.08 105.04 5.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.487 -1.008 . . . . 0.0 110.712 179.825 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.602 ' H ' HG12 ' A' ' 41' ' ' ILE . . . -76.1 168.77 54.83 Favored Glycine 0 N--CA 1.498 2.825 0 N-CA-C 108.292 -1.923 . . . . 0.0 108.292 178.24 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -139.18 96.39 3.1 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.182 -1.775 . . . . 0.0 111.756 -179.408 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.34 149.58 5.0 Favored Glycine 0 N--CA 1.494 2.53 0 C-N-CA 119.959 -1.115 . . . . 0.0 110.951 178.367 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.604 ' HG3' ' HA ' ' A' ' 37' ' ' MET . 5.6 tttt -70.04 55.83 0.14 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.585 -0.95 . . . . 0.0 110.456 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 59' ' ' LYS . 5.3 ttpt -167.09 37.92 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 179.902 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.546 ' O ' ' CB ' ' A' ' 61' ' ' SER . 1.2 p -171.96 174.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 -178.42 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.734 ' HA ' HD13 ' A' ' 41' ' ' ILE . 1.8 t 90.12 123.09 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 122.001 0.905 . . . . 0.0 109.396 -179.798 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.624 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 11.0 mttm 69.58 44.57 0.88 Allowed 'General case' 0 N--CA 1.503 2.22 0 CA-C-O 122.964 1.364 . . . . 0.0 107.433 -177.529 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 0.9 OUTLIER -177.68 -60.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 -179.394 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.921 ' HB2' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.08 -39.0 93.09 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.939 178.374 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 1.04 ' HB2' HG23 ' A' ' 41' ' ' ILE . . . -55.5 -50.83 68.9 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.385 -0.822 . . . . 0.0 109.363 -179.367 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.38 95.22 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.575 -0.703 . . . . 0.0 110.384 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.66 ' HG3' ' HA ' ' A' ' 64' ' ' ARG . 1.7 mt-10 -52.07 -49.73 62.92 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.299 -0.876 . . . . 0.0 108.993 179.289 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.452 ' HA ' HG12 ' A' ' 71' ' ' VAL . 23.7 tttm -61.03 -51.55 68.71 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.546 -0.721 . . . . 0.0 109.294 178.796 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.632 ' SD ' ' HB ' ' A' ' 51' ' ' THR . 3.0 tpt -53.34 -49.44 67.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.355 -0.84 . . . . 0.0 110.447 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.69 HD11 HG22 ' A' ' 13' ' ' VAL . 56.3 mt -69.76 -51.31 35.12 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.011 -1.055 . . . . 0.0 110.57 -179.477 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 68' ' ' LYS . 3.3 p -58.01 -38.32 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.036 -1.04 . . . . 0.0 110.249 -179.661 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 68' ' ' LYS . 0.4 OUTLIER -76.72 -45.45 29.32 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.977 -1.077 . . . . 0.0 109.481 179.375 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.495 HD22 ' CE ' ' A' ' 22' ' ' MET . 21.5 mt -59.67 -30.07 68.5 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.11 -0.994 . . . . 0.0 109.57 179.224 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.57 8.95 17.44 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.213 -0.929 . . . . 0.0 109.845 178.85 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -126.65 -3.52 6.61 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.05 -1.031 . . . . 0.0 110.978 -179.397 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.409 -0.807 . . . . 0.0 110.431 -179.652 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.061 0 C5'-C4'-C3' 111.146 -2.903 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.953 0 C5'-C4'-C3' 110.903 -3.065 . 0.173 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.103 0 C5'-C4'-C3' 111.164 -2.89 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.207 0 O4'-C1'-N19 111.189 2.989 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.082 0 C5'-C4'-C3' 111.065 -2.957 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.998 0 C5'-C4'-C3' 111.224 -2.85 . 0.048 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.946 0 C5'-C4'-C3' 110.957 -3.028 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.926 0 C5'-C4'-C3' 111.272 -2.819 . 0.099 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.093 0 C5'-C4'-C3' 111.25 -2.833 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.441 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 2.015 0 C5'-C4'-C3' 111.052 -2.965 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.843 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.125 0 O4'-C1'-N19 111.116 2.916 . 0.099 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.843 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.938 0 O4'-C1'-N19 111.011 2.811 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.599 " O2'" " H5'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.439 2.082 0 O4'-C1'-N19 112.007 3.807 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.599 " H5'" " O2'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.425 -2.293 0 C3'-C2'-C1' 104.379 3.199 . 0.422 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.848 0 C5'-C4'-C3' 110.954 -3.031 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.587 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.264 0 C5'-C4'-C3' 111.242 -2.839 . 0.371 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.813 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.03 0 C5'-C4'-C3' 111.277 -2.815 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.813 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.147 0 O4'-C1'-N19 111.012 2.812 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.762 0 C5'-C4'-C3' 110.924 -3.051 . 0.025 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.913 0 C5'-C4'-C3' 110.911 -3.059 . 0.073 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.418 ' C2 ' ' C2 ' ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.984 0 O4'-C1'-N19 111.154 2.954 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.418 ' C2 ' ' C2 ' ' B' ' 21' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.193 0 O4'-C1'-N19 111.099 2.899 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.046 0 C5'-C4'-C3' 111.038 -2.975 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.179 0 C5'-C4'-C3' 111.331 -2.779 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.143 0 O4'-C1'-N19 111.102 2.902 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.486 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.126 0 O4'-C1'-N19 111.091 2.891 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.45 0 C5'-C4'-C3' 111.277 -2.815 . 0.443 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.463 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.988 0 C5'-C4'-C3' 111.222 -2.852 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.555 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.073 0 O4'-C1'-N19 110.983 2.783 . 0.203 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.542 ' C6 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.155 0 C5'-C4'-C3' 110.961 -3.026 . 0.393 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.436 ' N ' ' OE1' ' A' ' 3' ' ' GLU . 2.2 tpt . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 120.921 0.391 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.04 49.23 20.59 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.574 -0.704 . . . . 0.0 110.934 178.406 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 1' ' ' MET . 2.5 mt-10 -128.72 150.73 50.14 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.038 -1.039 . . . . 0.0 110.133 179.49 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.64 75.57 1.15 Allowed Glycine 0 N--CA 1.5 2.934 0 N-CA-C 110.371 -1.091 . . . . 0.0 110.371 179.306 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.521 ' O ' ' HE2' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -71.62 49.01 0.16 Allowed 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.78 -0.835 . . . . 0.0 110.388 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.521 ' HE2' ' O ' ' A' ' 5' ' ' ASP . 12.8 mmtt -143.89 110.79 5.68 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.805 -1.184 . . . . 0.0 109.239 179.854 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -140.82 5.59 1.97 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.4 -0.812 . . . . 0.0 110.804 -179.475 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.0 t -135.6 103.36 10.24 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.04 -1.037 . . . . 0.0 109.471 179.723 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 13' ' ' VAL . 37.0 Cg_endo -80.54 26.1 0.6 Allowed 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 122.664 2.243 . . . . 0.0 111.873 -179.682 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.412 HG21 " O5'" ' B' ' 19' ' ' ' G' . 43.7 mm -71.66 -61.21 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 120.7 -1.25 . . . . 0.0 110.412 -179.676 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.7 t -45.21 -60.35 2.16 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.313 -0.867 . . . . 0.0 110.501 -179.665 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -43.56 34.35 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.292 -0.88 . . . . 0.0 110.802 -179.626 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.056 HG22 HD21 ' A' ' 70' ' ' LEU . 53.6 t -60.63 -44.59 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 120.767 -1.208 . . . . 0.0 108.89 179.29 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.563 ' HA ' HG21 ' A' ' 24' ' ' VAL . 29.0 m-70 -65.87 -43.29 88.81 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.702 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 34.4 mt-10 -58.94 -51.07 71.64 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.424 -0.797 . . . . 0.0 109.436 179.076 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 48.1 mt -65.74 -49.18 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.234 -0.916 . . . . 0.0 109.501 179.822 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.535 ' HA2' ' HG2' ' A' ' 22' ' ' MET . . . -54.69 -46.84 73.66 Favored Glycine 0 N--CA 1.498 2.795 0 N-CA-C 109.816 -1.313 . . . . 0.0 109.816 179.505 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.444 HG13 " O4'" ' B' ' 17' ' ' ' G' . 20.7 mm -66.38 -43.43 91.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 121.663 -0.904 . . . . 0.0 109.686 179.387 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 9.9 tttt -71.17 -26.53 63.02 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.186 -0.946 . . . . 0.0 110.587 179.835 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.594 ' O ' ' HB3' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -89.25 -59.54 2.19 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.089 -1.007 . . . . 0.0 109.996 -179.787 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.594 ' HB3' ' O ' ' A' ' 20' ' ' ARG . 44.0 p-10 145.92 -21.31 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.701 0 CA-C-O 121.23 0.538 . . . . 0.0 109.589 -179.452 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.559 ' HG3' HG13 ' A' ' 46' ' ' VAL . 1.4 ptt? -58.15 137.86 56.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.267 -0.896 . . . . 0.0 111.402 -178.614 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.49 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -79.39 103.78 9.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.235 -0.916 . . . . 0.0 109.675 179.49 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.563 HG21 ' HA ' ' A' ' 14' ' ' HIS . 27.2 t -76.51 91.72 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 121.117 -0.989 . . . . 0.0 109.528 179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.613 ' HB2' HG22 ' A' ' 45' ' ' ILE . 14.3 m-70 -116.35 105.71 12.83 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.07 -1.019 . . . . 0.0 110.377 -179.459 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -90.7 137.97 31.94 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.243 -0.91 . . . . 0.0 109.714 179.503 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' O ' HG23 ' A' ' 42' ' ' THR . 81.8 mttt -140.97 165.77 26.64 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.146 -0.971 . . . . 0.0 110.024 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 7.2 p -131.55 144.35 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 120.887 -1.133 . . . . 0.0 109.31 179.652 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 8.3 mt -85.95 -60.17 2.09 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.235 -0.916 . . . . 0.0 108.648 179.67 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 9.0 ttp180 169.07 170.2 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.501 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.536 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 0.9 OUTLIER -106.53 160.34 15.49 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.583 -0.698 . . . . 0.0 109.407 179.545 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.54 17.64 9.79 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.044 -1.035 . . . . 0.0 110.395 179.915 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.81 138.23 3.96 Favored Glycine 0 N--CA 1.499 2.836 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 179.371 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -74.87 -26.38 11.24 Favored 'Trans proline' 0 C--N 1.316 -1.183 0 C-N-CA 122.372 2.048 . . . . 0.0 110.694 179.298 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.37 -55.13 2.41 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.494 -0.754 . . . . 0.0 109.259 179.395 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -90.81 138.47 31.56 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.245 -0.909 . . . . 0.0 109.095 179.332 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 63.0 mtm 54.7 56.27 6.93 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-O 121.829 0.823 . . . . 0.0 109.571 -179.705 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.58 ' NZ ' " O2'" ' B' ' 3' ' ' ' A' . 39.8 mtpt -73.04 72.74 1.16 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.263 -0.898 . . . . 0.0 111.211 -179.006 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -115.22 144.73 43.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.281 -0.887 . . . . 0.0 108.907 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.536 ' CE1' ' HB3' ' A' ' 31' ' ' GLU . 45.1 m-85 -126.86 105.08 8.4 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.944 -1.098 . . . . 0.0 110.294 -179.533 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 mt -88.95 117.91 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.079 -1.013 . . . . 0.0 110.011 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 61' ' ' SER . 29.8 m -112.1 137.59 49.94 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.337 -0.852 . . . . 0.0 109.694 -179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -117.95 126.91 53.25 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.182 -0.949 . . . . 0.0 109.586 179.727 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.555 ' HB3' ' HG3' ' A' ' 69' ' ' MET . 46.8 t -114.16 137.1 52.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.069 -1.019 . . . . 0.0 110.08 -179.824 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.733 HD13 ' N ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -117.42 137.16 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.343 -0.848 . . . . 0.0 109.012 179.238 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.733 ' N ' HD13 ' A' ' 45' ' ' ILE . 20.3 t -131.63 107.81 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.385 -0.822 . . . . 0.0 109.69 -179.5 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.72 -94.67 0.09 OUTLIER Glycine 0 N--CA 1.502 3.061 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -126.0 21.15 7.54 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.308 -1.113 . . . . 0.0 110.42 -179.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 mp -127.44 143.58 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.0 -1.063 . . . . 0.0 109.548 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.606 HG22 HG12 ' A' ' 45' ' ' ILE . 1.3 t -122.83 146.61 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 121.001 -1.062 . . . . 0.0 109.602 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.698 ' HB ' ' HG2' ' A' ' 69' ' ' MET . 23.5 m -140.67 126.05 18.79 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.45 -0.781 . . . . 0.0 109.94 179.886 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -95.63 152.51 18.38 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.332 -0.855 . . . . 0.0 109.802 179.668 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 65' ' ' ALA . . . -146.17 122.76 1.71 Allowed Glycine 0 N--CA 1.499 2.872 0 N-CA-C 109.239 -1.545 . . . . 0.0 109.239 179.884 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.56 95.32 9.54 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.237 -1.155 . . . . 0.0 109.997 -179.403 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.7 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -89.14 152.13 22.57 Favored Glycine 0 N--CA 1.5 2.918 0 N-CA-C 109.779 -1.328 . . . . 0.0 109.779 179.404 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.71 -55.61 3.57 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.187 -1.184 . . . . 0.0 110.076 -179.62 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -97.08 163.39 22.16 Favored Glycine 0 N--CA 1.5 2.94 0 O-C-N 120.976 -1.078 . . . . 0.0 110.494 -179.625 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -52.22 -38.02 56.75 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.505 -0.997 . . . . 0.0 110.665 179.836 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -84.43 7.75 18.63 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.048 -1.033 . . . . 0.0 110.795 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.12 -36.42 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 120.865 -1.147 . . . . 0.0 110.23 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.7 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 59.7 p -54.87 -69.93 0.12 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.216 -0.928 . . . . 0.0 110.207 -179.865 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -40.96 71.21 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.408 -0.807 . . . . 0.0 110.034 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' NZ ' ' OE2' ' A' ' 67' ' ' GLU . 16.1 tttm -63.93 -62.28 1.74 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.386 -0.821 . . . . 0.0 110.073 -179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -55.94 -40.41 73.11 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.43 -0.794 . . . . 0.0 109.942 179.63 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.485 ' HB2' ' HB ' ' A' ' 42' ' ' THR . . . -64.33 -43.86 93.31 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.328 -0.857 . . . . 0.0 109.445 179.625 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.83 -46.77 70.89 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.289 -0.882 . . . . 0.0 110.044 179.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' OE2' ' NZ ' ' A' ' 63' ' ' LYS . 41.6 mt-10 -55.72 -47.91 76.08 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.301 -0.874 . . . . 0.0 109.532 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -60.95 -38.34 85.54 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.407 -0.808 . . . . 0.0 109.364 178.835 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.698 ' HG2' ' HB ' ' A' ' 51' ' ' THR . 0.0 OUTLIER -64.22 -42.65 96.48 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.12 -0.987 . . . . 0.0 109.597 179.265 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.056 HD21 HG22 ' A' ' 13' ' ' VAL . 15.8 mt -62.78 -51.11 68.37 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.095 -1.003 . . . . 0.0 110.55 -179.845 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.37 -40.55 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.014 -1.053 . . . . 0.0 110.233 -179.866 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' OE1' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -70.57 -51.11 30.68 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.151 -0.968 . . . . 0.0 109.606 179.426 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.465 ' N ' ' CD2' ' A' ' 73' ' ' LEU . 1.1 mm? -69.49 -3.08 13.08 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.229 -0.919 . . . . 0.0 110.988 179.8 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -19.84 60.03 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.523 -1.361 . . . . 0.0 109.856 179.746 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -106.25 -29.2 9.95 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.233 -0.917 . . . . 0.0 110.159 179.826 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.9 mt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 118.187 -0.911 . . . . 0.0 109.511 -179.891 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.69 " H1'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C5'-C4'-C3' 110.691 -3.206 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.69 " O4'" " H1'" ' B' ' 1' ' ' ' G' . . . . . . . . 0 P--O5' 1.611 1.769 0 O4'-C1'-N19 111.052 2.852 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.621 ' H8 ' " O5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.617 2.359 0 O4'-C1'-N19 111.304 3.104 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.552 ' C6 ' " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.441 2.24 0 O4'-C1'-N19 111.121 2.921 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.476 ' C8 ' " H2'" ' B' ' 4' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.099 0 O4'-C1'-N19 110.961 2.761 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . 0.42 ' C8 ' " H2'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.177 0 O4'-C1'-N19 111.139 2.939 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.258 0 O4'-C1'-N19 111.271 3.071 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.441 ' N3 ' ' N1 ' ' B' ' 23' ' ' ' A' . . . . . . . . 0 P--O5' 1.616 2.342 0 C5'-C4'-C3' 111.126 -2.916 . 0.129 1m . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . 0.701 " O2'" ' H6 ' ' B' ' 10' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.414 -3.244 0 C3'-C2'-C1' 103.927 2.696 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.701 ' H6 ' " O2'" ' B' ' 9' ' ' ' G' . . . . . . . . 0 P--O5' 1.619 2.633 0 O4'-C1'-N19 111.518 3.318 . 0.01 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.834 " H2'" " O4'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.3 0 O4'-C1'-N19 111.246 3.046 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.834 " O4'" " H2'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.996 0 O4'-C1'-N19 111.244 3.044 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.584 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.063 0 O4'-C1'-N19 111.729 3.529 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.67 ' O2 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 C2'--C1' 1.506 -2.187 0 C5'-C4'-C3' 111.196 -2.869 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.05 0 C3'-C2'-C1' 104.294 3.105 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.403 " O4'" ' C4 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.147 0 C5'-C4'-C3' 111.639 -2.574 . 0.677 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.8 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.448 0 O4'-C1'-N19 111.123 2.923 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.625 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.138 0 C5'-C4'-C3' 111.346 -2.769 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.412 " O5'" HG21 ' A' ' 10' ' ' ILE . . . . . . . . 0 P--O5' 1.612 1.913 0 C5'-C4'-C3' 111.019 -2.987 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.536 ' H8 ' ' OP2' ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.617 2.397 0 C5'-C4'-C3' 111.219 -2.854 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.61 ' C4 ' " H2'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.616 2.294 0 O4'-C1'-N19 110.847 2.647 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 1.013 " H1'" " O4'" ' B' ' 23' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.679 0 C4'-C3'-C2' 105.507 2.807 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . 1.013 " O4'" " H1'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 P--O5' 1.62 2.747 0 P-O3'-C3' 124.124 3.687 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . 0.535 " H2'" ' N3 ' ' B' ' 24' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.994 0 C5'-C4'-C3' 110.853 -3.098 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.877 0 O4'-C1'-N19 111.169 2.969 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.456 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.12 0 O4'-C1'-N19 111.1 2.9 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.082 0 O4'-C1'-N19 111.079 2.879 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.562 ' H6 ' " O5'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.13 0 O4'-C1'-N19 111.221 3.021 . 0.037 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.589 " H2'" ' C5 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.169 0 C5'-C4'-C3' 111.152 -2.898 . 0.329 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.642 ' H6 ' " O5'" ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.463 0 C5'-C4'-C3' 111.167 -2.889 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 ptt? . . . . . 0 N--CA 1.495 1.797 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.63 -177.88 5.15 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.558 -0.714 . . . . 0.0 110.498 -179.504 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 45.29 31.28 0.79 Allowed 'General case' 0 N--CA 1.505 2.281 0 CA-C-O 121.567 0.699 . . . . 0.0 110.475 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.65 34.62 2.14 Favored Glycine 0 N--CA 1.501 3.021 0 O-C-N 120.716 -1.24 . . . . 0.0 110.408 -179.874 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -135.92 162.56 32.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.192 -1.181 . . . . 0.0 110.493 179.738 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.7 36.81 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.402 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 8' ' ' SER . 7.0 mttt -117.68 -39.55 3.12 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.651 -0.656 . . . . 0.0 110.54 -178.531 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.583 ' OG ' ' HG2' ' A' ' 63' ' ' LYS . 1.6 m 77.96 87.59 0.07 OUTLIER Pre-proline 0 N--CA 1.508 2.464 0 O-C-N 121.573 -0.704 . . . . 0.0 109.429 -179.213 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.501 ' O ' HG23 ' A' ' 13' ' ' VAL . 35.5 Cg_endo -76.0 84.13 1.85 Allowed 'Trans proline' 0 C--N 1.317 -1.118 0 C-N-CA 122.324 2.016 . . . . 0.0 111.939 -179.153 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.1 mm -90.55 -47.55 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.112 -0.993 . . . . 0.0 109.559 179.143 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.51 -59.32 3.86 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.246 -0.909 . . . . 0.0 110.017 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -51.37 -37.78 49.86 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.51 -0.744 . . . . 0.0 110.555 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.933 HG22 HD21 ' A' ' 70' ' ' LEU . 69.5 t -62.27 -46.65 95.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.812 -1.18 . . . . 0.0 108.05 178.61 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.849 ' HA ' HG11 ' A' ' 24' ' ' VAL . 35.6 m-70 -64.55 -40.09 94.94 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.134 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 17.1 mt-10 -59.57 -54.93 40.82 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.584 -0.697 . . . . 0.0 109.367 179.002 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.1 -38.62 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.277 -0.889 . . . . 0.0 109.558 179.764 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.604 ' HA3' ' CG2' ' A' ' 24' ' ' VAL . . . -62.06 -58.35 13.13 Favored Glycine 0 N--CA 1.496 2.644 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.626 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mp -60.26 -43.79 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.264 -1.139 . . . . 0.0 108.563 178.813 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HE3' " C1'" ' B' ' 15' ' ' ' U' . 18.8 mmtt -56.24 -33.65 65.61 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.37 -0.831 . . . . 0.0 109.709 178.91 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -97.78 22.25 9.4 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.264 -0.897 . . . . 0.0 110.212 179.61 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.8 37.22 27.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.12 -0.987 . . . . 0.0 110.544 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.649 ' HB3' HG13 ' A' ' 46' ' ' VAL . 5.7 mmt -102.68 156.66 17.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.855 -1.153 . . . . 0.0 110.352 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.467 ' OG1' ' HA ' ' A' ' 46' ' ' VAL . 23.0 p -67.51 -55.53 13.17 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.317 -0.864 . . . . 0.0 110.751 -179.483 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.849 HG11 ' HA ' ' A' ' 14' ' ' HIS . 4.3 t 64.2 65.38 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 121.543 -0.723 . . . . 0.0 109.823 -179.35 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.87 ' HB2' HG22 ' A' ' 45' ' ' ILE . 5.3 m-70 -110.16 101.47 10.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.69 -1.257 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CD1' ' HB2' ' A' ' 44' ' ' CYS . 17.0 m-85 -91.69 121.1 33.03 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.553 -0.717 . . . . 0.0 109.164 179.562 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' A' ' 28' ' ' VAL . 10.8 ttpt -155.29 148.22 24.51 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.828 -1.17 . . . . 0.0 111.236 -179.609 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 29' ' ' LEU . 49.1 t -96.95 160.64 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.262 -0.898 . . . . 0.0 108.596 178.794 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' N ' HG12 ' A' ' 28' ' ' VAL . 6.4 mt -98.32 -71.34 0.69 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.889 -1.132 . . . . 0.0 109.61 -179.737 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 177.33 132.22 0.06 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.492 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 3.6 mm-40 -133.25 -96.24 0.3 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.476 -0.765 . . . . 0.0 110.259 -179.157 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.599 ' HG2' ' HA ' ' A' ' 38' ' ' LYS . 1.3 mm-40 -62.39 108.94 1.21 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.054 -1.029 . . . . 0.0 110.781 -179.411 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.407 ' H ' ' HD2' ' A' ' 34' ' ' PRO . . . -101.86 -70.34 0.87 Allowed Glycine 0 N--CA 1.497 2.747 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 178.838 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.597 ' O ' ' HB2' ' A' ' 35' ' ' ALA . 35.9 Cg_endo -80.17 -69.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.315 -1.234 0 C-N-CA 122.375 2.05 . . . . 0.0 110.48 178.749 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 34' ' ' PRO . . . 165.47 77.56 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.764 -0.585 . . . . 0.0 109.77 179.793 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.67 -51.45 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.912 -1.117 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 13.0 ptp -79.43 63.03 3.93 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.954 -1.091 . . . . 0.0 109.217 179.667 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.599 ' HA ' ' HG2' ' A' ' 32' ' ' GLU . 5.2 mtpm? -69.08 91.54 0.5 Allowed 'General case' 0 N--CA 1.492 1.63 0 CA-C-O 121.46 0.647 . . . . 0.0 111.256 -178.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.43 ' OD1' ' HA ' ' A' ' 56' ' ' ASN . 1.1 t-20 -157.28 170.41 22.53 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 179.016 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.492 ' HA ' ' HG3' ' A' ' 31' ' ' GLU . 64.7 m-85 -146.1 91.59 2.09 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.761 -1.212 . . . . 0.0 112.012 -179.535 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.652 HG12 ' HG2' ' A' ' 54' ' ' GLU . 64.7 mt -83.46 105.04 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 121.079 -1.013 . . . . 0.0 109.683 178.832 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.8 m -93.35 126.65 38.58 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 120.871 -1.143 . . . . 0.0 109.111 179.328 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . . . -109.17 139.29 44.28 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.081 -1.012 . . . . 0.0 110.933 -179.279 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.487 ' HB2' ' CD1' ' A' ' 26' ' ' PHE . 44.0 t -126.45 127.09 44.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.387 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.87 HG22 ' HB2' ' A' ' 25' ' ' HIS . 0.3 OUTLIER -106.11 128.59 60.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.039 -1.038 . . . . 0.0 110.143 -179.879 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.649 HG13 ' HB3' ' A' ' 22' ' ' MET . 25.2 t -125.61 109.26 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.156 -0.965 . . . . 0.0 109.59 -179.764 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.51 -86.84 0.52 Allowed Glycine 0 N--CA 1.498 2.767 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.768 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.3 m -140.17 15.6 2.43 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.354 -1.086 . . . . 0.0 110.593 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 64.2 mt -133.07 141.17 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.992 -1.068 . . . . 0.0 109.496 179.739 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.623 ' HB ' HG12 ' A' ' 45' ' ' ILE . 1.7 p -115.35 159.05 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 120.983 -1.073 . . . . 0.0 109.898 179.547 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.617 ' OG1' ' HG2' ' A' ' 69' ' ' MET . 54.6 p -133.7 101.79 5.24 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.607 -0.683 . . . . 0.0 109.606 -179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 3.4 mp0 -76.62 142.43 40.68 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.217 -0.927 . . . . 0.0 110.151 -179.821 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.28 93.06 0.4 Allowed Glycine 0 N--CA 1.498 2.832 0 N-CA-C 108.601 -1.8 . . . . 0.0 108.601 179.313 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.652 ' HG2' HG12 ' A' ' 41' ' ' ILE . 4.5 mt-10 -70.26 69.29 0.36 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.84 -0.8 . . . . 0.0 111.126 -178.621 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.591 ' HA3' ' N ' ' A' ' 61' ' ' SER . . . -83.07 150.05 27.16 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.569 -1.412 . . . . 0.0 109.569 178.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' HA ' ' OD1' ' A' ' 39' ' ' ASN . 5.1 p-10 -73.14 -26.05 61.06 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.007 -1.29 . . . . 0.0 111.569 -179.422 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 147.44 -88.97 0.15 Allowed Glycine 0 N--CA 1.504 3.189 0 O-C-N 120.535 -1.353 . . . . 0.0 110.476 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -61.79 -66.02 0.6 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.35 -1.088 . . . . 0.0 108.812 179.698 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.493 ' C ' HG23 ' A' ' 60' ' ' VAL . 19.2 mttm -82.7 148.2 28.03 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.529 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.547 HG12 ' H ' ' A' ' 61' ' ' SER . 1.6 t 62.53 -178.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.989 -1.069 . . . . 0.0 108.894 -179.27 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.591 ' N ' ' HA3' ' A' ' 55' ' ' GLY . 17.1 t 72.14 114.27 0.06 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.957 -1.09 . . . . 0.0 110.59 179.446 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 61' ' ' SER . 2.5 ttmt 77.18 -59.72 0.47 Allowed 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.026 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.583 ' HG2' ' OG ' ' A' ' 8' ' ' SER . 0.2 OUTLIER -64.48 -56.9 11.13 Favored 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 176.966 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.529 ' HG2' HG13 ' A' ' 60' ' ' VAL . 1.8 tpt180 -61.33 -34.63 75.57 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-O 121.263 0.554 . . . . 0.0 109.734 178.109 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.94 -50.04 73.72 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 178.768 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.79 85.03 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.556 -0.715 . . . . 0.0 109.184 178.511 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -51.49 -56.53 12.86 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.536 -0.728 . . . . 0.0 109.235 179.103 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -56.42 -37.66 70.5 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.145 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.617 ' HG2' ' OG1' ' A' ' 51' ' ' THR . 0.4 OUTLIER -66.7 -46.25 76.16 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.318 -0.864 . . . . 0.0 110.17 179.557 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.933 HD21 HG22 ' A' ' 13' ' ' VAL . 45.2 mt -69.33 -48.29 61.88 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.888 -1.133 . . . . 0.0 110.889 -179.459 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.1 p -58.11 -36.17 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.079 -1.013 . . . . 0.0 110.628 -179.376 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' OE2' ' NZ ' ' A' ' 75' ' ' LYS . 44.1 mm-40 -86.82 -47.27 9.21 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.004 -1.06 . . . . 0.0 110.009 179.48 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.614 HD11 HG11 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -59.49 -20.84 58.34 Favored 'General case' 0 N--CA 1.507 2.406 0 O-C-N 120.797 -1.189 . . . . 0.0 110.412 179.798 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -98.29 7.71 45.84 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.066 -1.021 . . . . 0.0 108.99 178.537 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -116.5 -27.62 6.69 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.489 -0.757 . . . . 0.0 109.599 179.719 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 117.866 -1.064 . . . . 0.0 109.734 -179.79 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . 0.672 " H1'" " O4'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.686 0 C3'-C2'-C1' 104.214 3.015 OUTLIER-EPSILON 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.892 " O2'" " H5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.576 3.376 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.892 " H5'" " O2'" ' B' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.907 0 O4'-C1'-N19 111.259 3.059 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.574 " O4'" " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.143 0 C5'-C4'-C3' 111.019 -2.987 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.179 0 C5'-C4'-C3' 111.303 -2.798 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . 0.467 " H2'" ' C6 ' ' B' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.019 0 C5'-C4'-C3' 111.124 -2.917 . 0.101 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.467 ' C6 ' " H2'" ' B' ' 6' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.047 0 C5'-C4'-C3' 111.287 -2.809 . 0.282 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.431 ' C6 ' " H2'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.06 0 C5'-C4'-C3' 111.25 -2.833 . 0.483 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.036 0 C5'-C4'-C3' 111.386 -2.743 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.423 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.992 0 O4'-C1'-N19 111.082 2.882 . 0.218 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.442 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.156 0 C5'-C4'-C3' 111.186 -2.876 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.517 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.048 0 O4'-C1'-N19 111.084 2.884 . 0.262 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.102 0 O4'-C1'-N19 110.998 2.798 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.498 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.22 0 C5'-C4'-C3' 110.806 -3.129 . 0.374 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.421 " C1'" ' HE3' ' A' ' 19' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.541 0 C5'-C4'-C3' 111.264 -2.824 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.498 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.611 1.825 0 C5'-C4'-C3' 111.038 -2.975 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.809 " H2'" " O4'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.07 0 C5'-C4'-C3' 111.045 -2.97 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.809 " O4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.187 0 C5'-C4'-C3' 111.056 -2.962 . 0.0 OUTLIER '7D dist 1e' 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.487 " H2'" ' N3 ' ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 2.02 0 C5'-C4'-C3' 111.073 -2.951 OUTLIER-DELTA 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.992 0 C5'-C4'-C3' 111.278 -2.814 . 0.0 OUTLIER '7D dist 1L' 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . 0.447 " H2'" ' C6 ' ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.925 0 C5'-C4'-C3' 111.266 -2.823 . 0.197 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.467 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.097 0 C5'-C4'-C3' 111.203 -2.865 . 0.403 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.123 0 O4'-C1'-N19 111.005 2.805 . 0.306 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.01 0 C5'-C4'-C3' 111.284 -2.811 . 0.133 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.121 0 O4'-C1'-N19 111.129 2.929 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.104 0 C5'-C4'-C3' 111.053 -2.964 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.028 0 C5'-C4'-C3' 111.329 -2.781 . 0.144 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.587 " H2'" " O4'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.902 0 C5'-C4'-C3' 111.134 -2.91 . 0.266 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.587 " O4'" " H2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 P--O5' 1.613 1.997 0 C5'-C4'-C3' 111.053 -2.965 . 0.015 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.476 " H2'" ' O2 ' ' B' ' 30' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.055 0 C5'-C4'-C3' 111.008 -2.995 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' N ' ' OE2' ' A' ' 3' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.7 55.36 2.97 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.131 -0.981 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' OE2' ' N ' ' A' ' 1' ' ' MET . 3.9 mp0 -74.8 73.46 2.08 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.961 -1.087 . . . . 0.0 109.714 -179.618 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.35 -70.93 0.22 Allowed Glycine 0 N--CA 1.5 2.941 0 O-C-N 120.87 -1.144 . . . . 0.0 110.913 -179.506 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -94.78 157.35 15.98 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.058 -1.26 . . . . 0.0 110.677 -178.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 9.1 mtmt -77.27 76.07 3.82 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.347 -0.846 . . . . 0.0 110.312 -179.749 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 25.9 mtmt 74.98 -78.6 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.436 -0.79 . . . . 0.0 110.025 179.764 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' A' ' 7' ' ' LYS . 60.5 p 176.98 143.72 0.25 Allowed Pre-proline 0 N--CA 1.506 2.329 0 O-C-N 120.846 -1.159 . . . . 0.0 110.381 179.662 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -72.98 64.25 4.1 Favored 'Trans proline' 0 C--N 1.319 -1.022 0 C-N-CA 122.423 2.082 . . . . 0.0 110.962 179.458 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.508 HD13 ' CZ ' ' A' ' 26' ' ' PHE . 26.5 mm -105.8 -63.9 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.431 -0.793 . . . . 0.0 109.405 179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -50.64 -44.89 57.56 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.105 -0.997 . . . . 0.0 109.096 178.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -58.69 -38.01 77.3 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.332 -0.855 . . . . 0.0 109.717 178.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.783 HG23 HD11 ' A' ' 70' ' ' LEU . 3.6 t -63.28 -44.42 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 120.749 -1.219 . . . . 0.0 107.786 178.088 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.415 ' HB3' ' C8 ' ' B' ' 17' ' ' ' G' . 14.0 m-70 -62.27 -42.49 99.39 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.694 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -59.85 4.54 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.128 0.49 . . . . 0.0 110.924 179.068 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 13' ' ' VAL . 10.6 tt -53.76 -36.22 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.254 -0.903 . . . . 0.0 110.232 -179.34 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.59 ' CA ' ' HA ' ' A' ' 22' ' ' MET . . . -63.23 -57.62 14.69 Favored Glycine 0 N--CA 1.485 1.901 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 179.015 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' ' 18' ' ' ILE . 3.4 mp -73.71 56.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-O 122.383 1.087 . . . . 0.0 108.845 178.836 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -157.12 -50.68 0.07 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.042 -1.036 . . . . 0.0 109.168 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -112.15 -45.56 3.28 Favored 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.82 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' C ' ' CG ' ' A' ' 22' ' ' MET . 24.5 m120 -147.3 -90.5 0.09 Allowed 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.151 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.59 ' HA ' ' CA ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -176.6 -76.35 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 0.0 108.906 178.837 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.782 HG22 ' N ' ' A' ' 47' ' ' GLY . 12.9 p 41.29 81.79 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 CA-C-O 121.566 0.698 . . . . 0.0 111.315 179.484 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 26' ' ' PHE . 21.7 t -74.6 -20.2 16.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.992 -1.068 . . . . 0.0 108.362 178.365 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.686 ' CD2' ' HG2' ' A' ' 69' ' ' MET . 38.5 m80 64.45 -73.34 0.05 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.386 -0.822 . . . . 0.0 111.426 178.116 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 5.4 m-85 -34.91 105.49 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 CA-C-O 121.913 0.863 . . . . 0.0 112.199 -178.816 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 11.7 tttm -144.63 99.28 3.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.46 -0.775 . . . . 0.0 109.228 179.685 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.69 95.23 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 120.778 -1.201 . . . . 0.0 109.92 -179.74 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.715 HD23 ' HB2' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -69.53 -32.97 72.12 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.209 -0.932 . . . . 0.0 109.886 179.622 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 ttt85 -169.83 135.63 1.46 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.368 -0.832 . . . . 0.0 108.818 179.849 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.95 156.48 19.66 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.402 -0.811 . . . . 0.0 109.804 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.573 ' HB2' ' O ' ' A' ' 39' ' ' ASN . 2.0 mp0 -90.63 145.6 24.71 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.424 -0.798 . . . . 0.0 109.937 -179.195 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' HA2' ' HD3' ' A' ' 34' ' ' PRO . . . -66.58 135.79 33.53 Favored Glycine 0 N--CA 1.501 3.022 0 O-C-N 120.943 -1.098 . . . . 0.0 111.327 -178.849 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.409 ' HD3' ' HA2' ' A' ' 33' ' ' GLY . 36.0 Cg_endo -78.34 109.58 2.69 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 122.781 2.32 . . . . 0.0 110.389 179.056 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -175.68 -56.35 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.288 -0.882 . . . . 0.0 109.87 -179.905 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -127.45 -60.52 1.18 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.179 -0.951 . . . . 0.0 110.149 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 72.0 mmm -61.67 -45.87 92.17 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.216 -0.927 . . . . 0.0 110.086 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.55 57.2 6.88 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.625 -0.672 . . . . 0.0 111.512 178.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.573 ' O ' ' HB2' ' A' ' 32' ' ' GLU . 9.4 m120 -126.38 165.94 18.1 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.28 -0.888 . . . . 0.0 108.862 178.775 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.615 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 3.9 m-85 -146.71 104.15 3.71 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.896 -1.128 . . . . 0.0 110.488 -179.807 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mm -77.68 86.09 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 121.321 -0.862 . . . . 0.0 108.838 179.242 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.9 m -87.59 105.17 17.15 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.676 -1.265 . . . . 0.0 108.912 179.896 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.715 ' HB2' HD23 ' A' ' 29' ' ' LEU . . . -71.58 153.71 41.95 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.528 -0.732 . . . . 0.0 109.922 -179.716 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -136.12 109.64 7.97 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.109 -0.994 . . . . 0.0 109.34 179.482 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -89.61 126.59 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 120.967 -1.083 . . . . 0.0 111.456 -179.02 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.676 HG13 ' O ' ' A' ' 46' ' ' VAL . 14.5 p -117.06 79.64 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 CA-C-O 121.978 0.894 . . . . 0.0 109.905 179.306 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.782 ' N ' HG22 ' A' ' 23' ' ' THR . . . 71.04 -109.82 3.0 Favored Glycine 0 N--CA 1.502 3.068 0 O-C-N 120.793 -1.192 . . . . 0.0 110.327 179.478 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -97.78 4.65 49.79 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.413 -1.051 . . . . 0.0 110.653 -179.77 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.53 ' HB ' ' CG1' ' A' ' 46' ' ' VAL . 42.1 mm -119.62 153.55 22.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.968 -1.082 . . . . 0.0 109.24 179.869 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.99 143.86 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.97 -1.081 . . . . 0.0 109.675 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.647 ' HB ' ' SD ' ' A' ' 69' ' ' MET . 34.1 m -146.17 132.91 19.98 Favored 'General case' 0 N--CA 1.499 1.999 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.413 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.618 ' HA ' ' HA ' ' A' ' 43' ' ' ALA . 1.6 mp0 -80.35 153.67 28.23 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.199 -0.938 . . . . 0.0 111.569 -178.477 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.72 107.84 2.31 Favored Glycine 0 N--CA 1.497 2.745 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.31 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -83.05 76.74 9.82 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.263 -1.139 . . . . 0.0 110.65 -178.895 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.776 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -108.35 151.66 17.02 Favored Glycine 0 N--CA 1.497 2.755 0 C-N-CA 119.838 -1.172 . . . . 0.0 110.222 179.448 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -57.91 -25.87 61.43 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.344 -1.092 . . . . 0.0 111.341 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.615 ' HA2' ' HB2' ' A' ' 40' ' ' PHE . . . 150.19 -138.29 6.64 Favored Glycine 0 N--CA 1.503 3.101 0 O-C-N 120.747 -1.221 . . . . 0.0 111.021 179.711 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 11.0 tttp -65.72 68.05 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 O-C-N 122.039 -0.683 . . . . 0.0 110.495 -179.254 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 11.7 tttt 178.81 -61.33 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.342 -0.849 . . . . 0.0 109.501 179.766 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.1 t -101.83 -24.24 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.256 -0.903 . . . . 0.0 111.154 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.776 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 4.9 t -58.12 -71.38 0.11 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 120.969 -1.082 . . . . 0.0 111.298 -178.932 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.508 ' HD3' HD11 ' A' ' 10' ' ' ILE . 5.6 ptpt -57.26 -29.48 63.87 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.872 -1.142 . . . . 0.0 110.911 -179.544 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' A' ' 7' ' ' LYS . 13.5 mtpp -73.95 -59.38 2.75 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.771 -1.206 . . . . 0.0 109.423 179.339 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -59.79 -40.72 89.28 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.524 -0.735 . . . . 0.0 109.665 179.525 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HB1' ' SG ' ' A' ' 44' ' ' CYS . . . -58.84 -45.0 91.06 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.307 -0.871 . . . . 0.0 109.166 179.153 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.579 ' HB2' ' CE1' ' A' ' 26' ' ' PHE . . . -66.87 -52.54 42.28 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.377 -0.827 . . . . 0.0 109.815 179.656 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.43 -48.18 65.92 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.471 -0.768 . . . . 0.0 109.435 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' A' ' 52' ' ' GLU . 8.7 mtpt -51.44 -51.52 54.16 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.291 -0.881 . . . . 0.0 110.288 179.368 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.686 ' HG2' ' CD2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -72.96 -56.5 5.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.28 -0.888 . . . . 0.0 110.372 -179.464 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.783 HD11 HG23 ' A' ' 13' ' ' VAL . 12.5 mt -50.92 -46.79 60.9 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.297 -0.877 . . . . 0.0 110.369 -179.669 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.3 t -60.68 -45.68 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.084 -1.01 . . . . 0.0 109.328 179.851 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.19 -54.73 29.09 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.415 -0.803 . . . . 0.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 pp -73.14 -2.26 20.8 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.991 -1.068 . . . . 0.0 112.052 -179.249 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -12.8 61.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.294 -1.504 . . . . 0.0 110.296 179.499 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -127.97 0.49 5.94 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.032 -1.042 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 N--CA 1.486 1.351 0 O-C-N 121.253 -0.904 . . . . 0.0 109.938 -179.411 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C2'--O2' 1.436 1.807 0 O4'-C1'-N19 111.435 3.235 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.03 0 C5'-C4'-C3' 110.87 -3.087 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.508 ' H8 ' " O5'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 P--O5' 1.615 2.152 0 C5'-C4'-C3' 111.28 -2.813 . 0.183 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.099 0 C5'-C4'-C3' 110.914 -3.057 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . 0.404 ' N3 ' " H2'" ' B' ' 5' ' ' ' A' . . . . . . . . 0 P--O5' 1.613 1.983 0 C5'-C4'-C3' 111.103 -2.932 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.885 0 C5'-C4'-C3' 111.229 -2.848 . 0.059 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.971 0 C5'-C4'-C3' 111.091 -2.939 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.409 " H2'" " O4'" ' B' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.883 0 C5'-C4'-C3' 111.164 -2.891 . 0.216 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . 0.409 " O4'" " H2'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.075 0 O4'-C1'-N19 110.948 2.748 . 0.038 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.182 0 C5'-C4'-C3' 111.288 -2.808 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.971 0 O4'-C1'-N19 111.05 2.85 . 0.189 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . 0.532 ' H6 ' " O5'" ' B' ' 12' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.997 0 C5'-C4'-C3' 111.296 -2.803 . 0.263 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.663 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.181 0 C5'-C4'-C3' 111.268 -2.821 . 0.026 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.527 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.421 -2.681 0 C3'-C2'-C1' 104.495 3.327 . 0.215 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.596 " O5'" ' H5 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.204 0 C5'-C4'-C3' 111.495 -2.67 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.596 ' H5 ' " O5'" ' B' ' 15' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.089 0 C5'-C4'-C3' 111.17 -2.887 . 0.192 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.488 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.952 0 O4'-C1'-N19 111.114 2.914 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.453 " C4'" " H2'" ' B' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.614 2.139 0 O4'-C1'-N19 111.048 2.848 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.059 0 C5'-C4'-C3' 110.848 -3.101 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 2.023 0 C5'-C4'-C3' 111.189 -2.874 OUTLIER-DELTA 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.894 0 C5'-C4'-C3' 111.298 -2.801 . 0.016 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.832 0 C5'-C4'-C3' 111.27 -2.82 . 0.034 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.928 0 O4'-C1'-N19 111.073 2.873 . 0.058 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.1 0 O4'-C1'-N19 110.971 2.771 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.478 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 C5'-C4'-C3' 111.352 -2.765 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.478 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.076 0 C5'-C4'-C3' 111.168 -2.888 . 0.115 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.056 0 O4'-C1'-N19 110.896 2.696 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.531 " O2'" " H5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.612 1.947 0 C5'-C4'-C3' 111.105 -2.93 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.531 " H5'" " O2'" ' B' ' 28' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.44 2.148 0 C5'-C4'-C3' 110.98 -3.013 . 0.311 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.474 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.615 2.229 0 C5'-C4'-C3' 111.472 -2.686 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.37 -53.04 4.24 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -179.686 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.18 121.25 7.77 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.565 -0.71 . . . . 0.0 110.283 179.836 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.18 -136.7 12.49 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -167.41 -164.12 0.57 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.696 -0.885 . . . . 0.0 109.006 179.794 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -178.42 -39.3 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.21 -0.931 . . . . 0.0 109.681 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . 53.4 mttt -89.3 -30.51 18.4 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.267 -0.896 . . . . 0.0 110.71 -179.696 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 7' ' ' LYS . 17.0 m 74.75 68.31 0.25 Allowed Pre-proline 0 N--CA 1.511 2.598 0 O-C-N 121.582 -0.699 . . . . 0.0 110.001 -179.111 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.489 ' HG2' ' HB2' ' A' ' 12' ' ' GLN . 36.6 Cg_endo -78.8 122.33 5.38 Favored 'Trans proline' 0 C--N 1.309 -1.552 0 C-N-CA 122.099 1.866 . . . . 0.0 110.857 179.732 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.7 mt -53.34 -38.13 31.01 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 O-C-N 121.33 -0.856 . . . . 0.0 110.013 179.715 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -62.95 1.31 Allowed 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.209 -0.932 . . . . 0.0 109.659 179.376 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.489 ' HB2' ' HG2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -48.57 -42.58 34.1 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.578 -0.701 . . . . 0.0 110.548 179.909 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.006 HG22 HD21 ' A' ' 70' ' ' LEU . 35.4 t -58.6 -50.04 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.047 -1.033 . . . . 0.0 109.367 179.719 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -67.5 -37.14 82.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.819 . . . . 0.0 109.273 179.073 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.593 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 43.3 mt-10 -64.74 -37.86 89.03 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.481 -0.762 . . . . 0.0 110.532 -179.849 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.3 mt -78.69 -42.03 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 120.871 -1.143 . . . . 0.0 108.845 179.787 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' HA3' HG23 ' A' ' 24' ' ' VAL . . . -66.02 -56.46 14.2 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 178.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.591 HD13 ' N7 ' ' B' ' 17' ' ' ' G' . 59.7 mt -80.99 76.62 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.399 -1.059 . . . . 0.0 108.89 178.873 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -169.59 -39.08 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.867 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.599 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -104.76 -57.5 2.02 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.197 -0.939 . . . . 0.0 109.498 178.849 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 9.6 t30 177.42 56.12 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.694 -0.629 . . . . 0.0 109.955 179.487 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 14.4 mtt -152.06 115.54 4.79 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.84 -1.163 . . . . 0.0 110.807 -179.786 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.469 HG22 ' NE2' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -81.79 103.66 11.63 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.05 -1.031 . . . . 0.0 109.284 179.354 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.553 HG22 HG13 ' A' ' 46' ' ' VAL . 59.0 t -86.4 120.04 35.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.029 0 O-C-N 121.269 -0.894 . . . . 0.0 110.093 -179.532 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.492 ' HB2' ' CG2' ' A' ' 45' ' ' ILE . 94.9 m-70 -142.02 113.15 7.53 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.334 -0.854 . . . . 0.0 109.491 179.505 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -79.7 149.69 31.11 Favored 'General case' 0 N--CA 1.502 2.175 0 O-C-N 121.413 -0.805 . . . . 0.0 110.313 -179.403 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.7 97.25 2.59 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.846 -1.159 . . . . 0.0 110.563 -179.736 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.5 ' HA ' ' HA ' ' A' ' 42' ' ' THR . 13.3 p -72.29 127.89 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.065 0 O-C-N 121.037 -1.039 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' A' ' 30' ' ' ARG . 6.4 mt -79.87 -38.62 32.33 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.133 -0.979 . . . . 0.0 108.993 179.213 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER 74.76 167.89 0.29 Allowed 'General case' 0 N--CA 1.507 2.406 0 CA-C-O 121.759 0.79 . . . . 0.0 111.381 179.056 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.598 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . 2.0 mt-10 -144.97 -61.13 0.36 Allowed 'General case' 0 N--CA 1.499 2.013 0 CA-C-O 121.809 0.814 . . . . 0.0 109.325 -179.335 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 40' ' ' PHE . 1.7 tt0 -82.0 120.22 24.98 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.486 -0.759 . . . . 0.0 110.347 -179.419 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 73.19 169.13 14.97 Favored Glycine 0 N--CA 1.499 2.844 0 N-CA-C 110.405 -1.078 . . . . 0.0 110.405 179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -74.2 -49.67 0.18 Allowed 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.102 1.868 . . . . 0.0 109.719 179.29 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -146.96 49.11 1.13 Allowed 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.084 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -81.39 -103.04 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.146 -0.971 . . . . 0.0 110.603 -179.045 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.6 ttm -58.78 -20.17 47.4 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.679 -1.263 . . . . 0.0 111.425 -178.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.697 ' NZ ' " O2'" ' B' ' 3' ' ' ' A' . 2.5 tttt 59.47 45.32 13.73 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.939 -1.101 . . . . 0.0 110.927 178.3 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.419 ' C ' ' CD2' ' A' ' 40' ' ' PHE . 77.8 m-20 -135.25 -132.54 0.16 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.248 -0.908 . . . . 0.0 109.069 179.868 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.598 ' CD1' ' HB2' ' A' ' 31' ' ' GLU . 25.8 m-85 69.07 -158.32 0.18 Allowed 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.064 -1.023 . . . . 0.0 110.766 178.817 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.476 ' HB ' HD12 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -57.04 128.48 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 120.964 -1.085 . . . . 0.0 109.566 -179.468 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.707 ' C ' ' HB2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -114.97 159.13 21.11 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.249 -0.907 . . . . 0.0 108.814 -179.833 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.564 ' N ' ' HB2' ' A' ' 52' ' ' GLU . . . -143.87 102.03 3.84 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.863 -1.148 . . . . 0.0 110.437 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.672 ' CB ' ' HG3' ' A' ' 52' ' ' GLU . 41.9 t -104.89 151.87 23.33 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.033 -1.042 . . . . 0.0 109.625 179.749 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.68 ' HA ' HG13 ' A' ' 50' ' ' VAL . 16.1 tt -114.66 132.2 64.54 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.465 -0.772 . . . . 0.0 108.929 178.865 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.553 HG13 HG22 ' A' ' 24' ' ' VAL . 85.0 t -142.27 88.86 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.409 -0.807 . . . . 0.0 109.437 -179.842 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.05 -100.56 0.65 Allowed Glycine 0 N--CA 1.5 2.907 0 N-CA-C 110.397 -1.081 . . . . 0.0 110.397 179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.3 p -104.19 -21.81 13.49 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.35 -1.088 . . . . 0.0 110.789 -179.534 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.574 HD12 HD22 ' A' ' 73' ' ' LEU . 91.8 mt -93.22 132.45 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.912 -1.118 . . . . 0.0 109.392 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.78 HG12 ' H ' ' A' ' 51' ' ' THR . 2.0 t -130.86 -172.26 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.284 -0.885 . . . . 0.0 109.153 179.438 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.78 ' H ' HG12 ' A' ' 50' ' ' VAL . 23.7 m 78.29 159.37 0.19 Allowed 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 -178.136 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 1.006 ' HG2' ' HB1' ' A' ' 65' ' ' ALA . 1.9 mt-10 -124.59 -57.24 1.56 Allowed 'General case' 0 C--N 1.294 -1.817 0 O-C-N 120.257 -1.527 . . . . 0.0 109.442 -179.046 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.75 -172.97 29.62 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.615 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -104.04 84.09 2.19 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.265 -1.138 . . . . 0.0 109.051 179.725 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.645 ' HA2' HG12 ' A' ' 60' ' ' VAL . . . -93.23 81.71 1.06 Allowed Glycine 0 N--CA 1.494 2.564 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 -179.212 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.57 85.19 7.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.201 -1.176 . . . . 0.0 110.451 -179.858 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.571 ' HA3' HG23 ' A' ' 60' ' ' VAL . . . 162.32 154.98 7.79 Favored Glycine 0 N--CA 1.496 2.663 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 179.793 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -47.71 -38.41 15.18 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.672 -0.899 . . . . 0.0 111.777 -179.32 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 19.3 mttm -119.74 25.17 10.16 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.939 -1.101 . . . . 0.0 111.141 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.645 HG12 ' HA2' ' A' ' 55' ' ' GLY . 3.1 t -93.78 -50.31 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 120.366 -1.459 . . . . 0.0 110.061 179.683 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.609 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 70.0 p -58.24 -81.11 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.169 -0.957 . . . . 0.0 110.808 -178.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.549 ' HE3' ' OG ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -42.78 -29.67 0.33 Allowed 'General case' 0 N--CA 1.502 2.125 0 O-C-N 121.691 -0.631 . . . . 0.0 112.223 -179.078 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -92.28 -59.0 2.2 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.481 -1.387 . . . . 0.0 111.054 -179.495 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' A' ' 60' ' ' VAL . 4.3 mmt180 -59.76 -39.69 85.65 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.122 -0.986 . . . . 0.0 109.85 -179.763 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 1.006 ' HB1' ' HG2' ' A' ' 52' ' ' GLU . . . -63.83 -54.31 36.98 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.19 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.47 71.93 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.32 -0.863 . . . . 0.0 109.22 178.649 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.733 ' O ' HG22 ' A' ' 71' ' ' VAL . 14.7 mt-10 -53.71 -42.76 68.39 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-O 121.31 0.576 . . . . 0.0 109.804 179.507 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -73.75 -53.93 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.624 -0.673 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.0 mmt -47.82 -45.96 30.36 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.598 -0.689 . . . . 0.0 110.821 179.811 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.006 HD21 HG22 ' A' ' 13' ' ' VAL . 12.9 mt -70.1 -56.52 6.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.864 -1.147 . . . . 0.0 111.124 -179.12 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 67' ' ' GLU . 26.8 m -56.57 -42.43 75.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.851 -1.156 . . . . 0.0 110.436 -179.431 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.1 -55.83 14.53 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.002 -1.061 . . . . 0.0 109.707 179.687 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.574 HD22 HD12 ' A' ' 49' ' ' ILE . 1.6 mm? -58.04 -30.57 66.25 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.076 -1.015 . . . . 0.0 110.154 179.836 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -52.06 -35.59 47.84 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.167 -0.958 . . . . 0.0 108.697 178.78 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -161.86 79.29 0.55 Allowed 'General case' 0 N--CA 1.489 1.489 0 CA-C-O 121.636 0.731 . . . . 0.0 109.762 178.32 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.285 -2.219 0 CA-C-O 117.779 -1.105 . . . . 0.0 110.544 179.715 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.436 1.825 0 O4'-C1'-N19 111.16 2.96 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.129 0 C5'-C4'-C3' 111.083 -2.945 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.697 " O2'" ' NZ ' ' A' ' 38' ' ' LYS . . . . . . . . 0 P--O5' 1.614 2.09 0 O4'-C1'-N19 111.493 3.293 . 0.121 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.445 " O5'" ' H6 ' ' B' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.119 0 C5'-C4'-C3' 111.25 -2.833 . 0.255 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.101 0 C5'-C4'-C3' 111.238 -2.842 . 0.286 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.034 0 O4'-C1'-N19 111.189 2.989 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.415 ' H6 ' " O5'" ' B' ' 7' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.997 0 C5'-C4'-C3' 111.182 -2.879 . 0.329 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.93 0 C5'-C4'-C3' 111.02 -2.986 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.903 0 C5'-C4'-C3' 111.375 -2.75 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.612 1.884 0 O4'-C1'-N19 110.983 2.783 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.448 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 P--O5' 1.613 1.955 0 C5'-C4'-C3' 111.184 -2.878 . 0.087 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.187 0 C5'-C4'-C3' 110.937 -3.042 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.727 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.611 1.814 0 O4'-C1'-N19 111.025 2.825 . 0.081 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.608 ' C2 ' ' N3 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.427 -2.179 0 O4'-C1'-N19 111.19 2.99 . 0.251 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.455 " O2'" ' HG2' ' A' ' 15' ' ' GLU . . . . . . . . 0 P--O5' 1.617 2.382 0 O4'-C1'-N19 112.048 3.848 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.608 ' N3 ' ' C2 ' ' B' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.432 -1.755 0 C5'-C4'-C3' 111.174 -2.884 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.591 ' N7 ' HD13 ' A' ' 18' ' ' ILE . . . . . . . . 0 P--O5' 1.617 2.351 0 O4'-C1'-N19 111.097 2.897 . 0.399 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.677 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.099 0 C5'-C4'-C3' 110.839 -3.107 . 0.022 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.75 " H2'" " O4'" ' B' ' 20' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.193 0 O4'-C1'-N19 111.034 2.834 . 0.115 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . 0.75 " O4'" " H2'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.615 2.151 0 C5'-C4'-C3' 111.332 -2.779 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 0 C5'-C4'-C3' 111.169 -2.887 . 0.069 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.925 0 C5'-C4'-C3' 111.214 -2.858 . 0.211 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 1.997 0 O4'-C1'-N19 110.958 2.758 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.148 0 C5'-C4'-C3' 111.492 -2.672 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.466 " H2'" ' C6 ' ' B' ' 26' ' ' ' U' . . . . . . . . 0 P--O5' 1.614 2.073 0 O4'-C1'-N19 111.147 2.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.466 ' C6 ' " H2'" ' B' ' 25' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.191 0 O4'-C1'-N19 111.016 2.816 . 0.186 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.944 0 O4'-C1'-N19 111.019 2.819 . 0.427 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.073 0 C5'-C4'-C3' 111.184 -2.878 . 0.016 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.065 0 O4'-C1'-N19 111.123 2.923 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.246 0 O4'-C1'-N19 111.098 2.898 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtm . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.99 166.48 22.78 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.508 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 63.4 111.62 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 CA-C-O 121.895 0.855 . . . . 0.0 109.927 -178.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.82 63.76 0.56 Allowed Glycine 0 N--CA 1.5 2.915 0 O-C-N 120.646 -1.284 . . . . 0.0 111.038 -179.136 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -78.85 162.56 25.98 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.291 -1.123 . . . . 0.0 109.46 178.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -147.59 39.5 0.97 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.192 -0.943 . . . . 0.0 109.275 179.424 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.54 90.47 3.33 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.879 . . . . 0.0 110.465 -179.301 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 t -101.11 132.32 22.11 Favored Pre-proline 0 N--CA 1.494 1.754 0 O-C-N 121.064 -1.023 . . . . 0.0 108.74 178.866 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' O ' HG23 ' A' ' 13' ' ' VAL . 30.0 Cg_endo -69.0 -51.59 0.44 Allowed 'Trans proline' 0 C--N 1.316 -1.167 0 C-N-CA 122.201 1.934 . . . . 0.0 110.387 -179.676 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 mt -54.41 -51.22 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.129 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.597 ' HB3' ' C2 ' ' B' ' 15' ' ' ' U' . 0.2 OUTLIER -57.2 -46.91 82.46 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.359 -0.838 . . . . 0.0 109.613 178.878 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -60.67 -44.51 96.37 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.091 -1.006 . . . . 0.0 108.744 179.021 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.674 HG12 HG11 ' A' ' 24' ' ' VAL . 92.3 t -57.82 -42.19 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 177.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.533 ' HB3' HD12 ' A' ' 18' ' ' ILE . 10.2 m170 -61.99 -49.18 77.1 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 178.406 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.601 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 2.4 mm-40 -51.78 -38.55 56.0 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.623 -0.673 . . . . 0.0 110.565 179.582 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.571 HG22 ' CB ' ' A' ' 21' ' ' ASN . 18.2 mt -86.52 -57.78 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.011 -1.055 . . . . 0.0 110.214 -179.313 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.431 ' HA3' HG13 ' A' ' 24' ' ' VAL . . . -55.46 -49.23 65.61 Favored Glycine 0 N--CA 1.496 2.677 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 -179.805 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 14' ' ' HIS . 54.0 mt -81.53 56.99 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.248 -1.149 . . . . 0.0 109.273 179.283 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.601 ' NZ ' ' O ' ' A' ' 15' ' ' GLU . 0.8 OUTLIER -155.92 -67.71 0.11 Allowed 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.844 -1.16 . . . . 0.0 108.996 179.919 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.88 45.31 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.58 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.571 ' CB ' HG22 ' A' ' 16' ' ' ILE . 13.6 t-20 -121.43 -78.42 0.6 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.318 -0.864 . . . . 0.0 110.082 -179.274 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.843 ' HG2' HD12 ' A' ' 45' ' ' ILE . 3.3 tpt -157.22 155.9 31.63 Favored 'General case' 0 C--N 1.308 -1.237 0 O-C-N 121.032 -1.042 . . . . 0.0 110.131 -178.299 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.571 ' O ' ' HE2' ' A' ' 22' ' ' MET . 0.2 OUTLIER -62.01 123.61 18.57 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.136 -0.978 . . . . 0.0 110.093 179.514 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.674 HG11 HG12 ' A' ' 13' ' ' VAL . 1.5 m -89.08 76.43 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 120.726 -1.234 . . . . 0.0 111.22 -179.697 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.725 ' HB2' ' O ' ' A' ' 45' ' ' ILE . 88.8 m-70 -81.99 95.72 7.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.465 -1.397 . . . . 0.0 109.108 178.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.665 ' CE1' HG11 ' A' ' 13' ' ' VAL . 16.6 m-85 -97.87 120.71 38.75 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.168 -0.957 . . . . 0.0 109.722 -179.852 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 1.6 pttt -165.54 138.64 4.39 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.974 -1.079 . . . . 0.0 111.049 -179.917 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.701 HG22 ' OG1' ' A' ' 42' ' ' THR . 97.7 t -82.14 152.87 4.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.091 -1.006 . . . . 0.0 108.62 178.623 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 52' ' ' GLU . 9.6 mt -93.63 -57.58 2.53 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.892 -1.13 . . . . 0.0 109.406 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 177.71 172.05 0.61 Allowed 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.764 -0.585 . . . . 0.0 110.175 -179.822 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.505 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . 1.8 pm0 -86.4 144.12 27.48 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.442 -0.786 . . . . 0.0 110.007 179.857 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.642 ' HB2' ' HB2' ' A' ' 39' ' ' ASN . 6.4 mt-10 -98.56 88.96 4.24 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.323 -0.861 . . . . 0.0 110.684 -179.306 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' HA3' ' HG3' ' A' ' 38' ' ' LYS . . . 138.48 174.17 13.31 Favored Glycine 0 N--CA 1.501 3.024 0 O-C-N 120.862 -1.149 . . . . 0.0 111.276 179.141 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.402 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 37.7 Cg_endo -82.18 147.13 14.48 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 C-N-CA 123.099 2.533 . . . . 0.0 111.055 179.919 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 34' ' ' PRO . . . 63.14 -163.15 0.27 Allowed 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.596 -0.69 . . . . 0.0 110.662 179.231 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.57 ' HB3' " O2'" ' B' ' 3' ' ' ' A' . 55.3 m-70 -97.1 -164.37 1.14 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.082 -1.011 . . . . 0.0 109.633 -179.706 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.22 31.16 19.52 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.82 -1.175 . . . . 0.0 109.456 -179.34 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.648 ' NZ ' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -113.34 175.87 5.27 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 120.873 -1.142 . . . . 0.0 110.036 -179.646 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.642 ' HB2' ' HB2' ' A' ' 32' ' ' GLU . 1.0 OUTLIER -69.8 139.38 53.19 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.269 -0.894 . . . . 0.0 108.922 -179.741 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.509 ' HB2' ' HA2' ' A' ' 57' ' ' GLY . 20.5 m-85 -117.17 79.51 1.35 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.409 -0.807 . . . . 0.0 109.744 -179.356 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.768 HD11 ' HG3' ' A' ' 52' ' ' GLU . 17.2 tt -52.35 117.88 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.348 -0.845 . . . . 0.0 109.529 179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.701 ' OG1' HG22 ' A' ' 28' ' ' VAL . 22.5 m -117.03 129.11 55.8 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.08 -1.013 . . . . 0.0 109.88 -179.014 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.765 ' CB ' ' HA ' ' A' ' 52' ' ' GLU . . . -105.08 153.77 21.05 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.128 -0.983 . . . . 0.0 111.059 -179.834 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.844 ' HB2' ' SD ' ' A' ' 69' ' ' MET . 57.8 m -142.73 162.54 35.19 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.06 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.883 HG13 HG21 ' A' ' 50' ' ' VAL . 9.1 mm 63.32 -76.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.269 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 -178.023 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' SER . 5.1 t 54.34 -56.68 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.512 2.651 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 177.055 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 45' ' ' ILE . . . -43.45 85.54 0.01 OUTLIER Glycine 0 N--CA 1.514 3.867 0 O-C-N 121.13 -0.981 . . . . 0.0 112.233 -178.126 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.4 m 62.07 5.02 1.32 Allowed 'General case' 0 N--CA 1.505 2.291 0 O-C-N 121.415 -1.05 . . . . 0.0 111.33 179.854 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.841 HG22 HG23 ' A' ' 50' ' ' VAL . 11.3 mt -149.75 160.44 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.975 -1.078 . . . . 0.0 110.226 -179.717 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.06 HG11 ' HE1' ' A' ' 69' ' ' MET . 62.0 t 61.44 -114.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.343 -0.848 . . . . 0.0 111.597 179.788 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.659 ' HB ' ' O ' ' A' ' 50' ' ' VAL . 6.4 t 126.6 -154.72 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.239 0 CA-C-N 118.821 0.737 . . . . 0.0 109.269 -179.327 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.768 ' HG3' HD11 ' A' ' 41' ' ' ILE . 0.5 OUTLIER -74.32 174.72 8.45 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 122.246 1.022 . . . . 0.0 112.132 -179.357 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.76 136.38 6.17 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 108.27 -1.932 . . . . 0.0 108.27 179.203 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.487 ' CD ' HH21 ' A' ' 64' ' ' ARG . 0.1 OUTLIER -79.78 80.28 6.19 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.021 -1.282 . . . . 0.0 110.647 -178.87 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.679 ' HA3' ' HA ' ' A' ' 61' ' ' SER . . . -89.95 159.03 27.51 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 179.5 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.519 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 23.8 t-20 -74.66 -68.73 0.51 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.041 -1.27 . . . . 0.0 110.652 -179.759 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.509 ' HA2' ' HB2' ' A' ' 40' ' ' PHE . . . -161.14 -144.33 3.95 Favored Glycine 0 N--CA 1.503 3.131 0 C-N-CA 119.781 -1.2 . . . . 0.0 111.357 -179.419 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 10.2 tttt -66.63 65.45 0.05 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.59 -0.947 . . . . 0.0 110.821 -179.235 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER 170.47 -64.17 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.536 -0.727 . . . . 0.0 109.301 179.732 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' A' ' 56' ' ' ASN . 25.5 t -70.12 -46.38 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.46 -0.775 . . . . 0.0 110.384 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.679 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 52.1 m -59.12 -44.43 92.02 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 121.011 -1.056 . . . . 0.0 110.884 -179.105 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -15.4 62.27 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.389 -0.819 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HE2' ' CG ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -108.31 -56.59 2.23 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.034 -1.041 . . . . 0.0 110.395 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.487 HH21 ' CD ' ' A' ' 54' ' ' GLU . 9.9 ttt180 -53.93 -50.5 66.29 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.263 -0.898 . . . . 0.0 110.352 -179.496 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.549 ' O ' ' HG2' ' A' ' 69' ' ' MET . . . -62.67 -49.05 76.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.512 -0.742 . . . . 0.0 109.584 179.736 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.451 ' HA ' ' HG2' ' A' ' 69' ' ' MET . . . -58.53 -51.22 70.79 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.299 -0.876 . . . . 0.0 111.258 -179.477 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' CG ' ' HE2' ' A' ' 63' ' ' LYS . 5.2 mm-40 -51.77 -50.28 60.98 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.176 -0.952 . . . . 0.0 109.778 -179.833 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -53.44 -37.26 62.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.512 -0.743 . . . . 0.0 109.285 179.249 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 1.06 ' HE1' HG11 ' A' ' 50' ' ' VAL . 58.1 mmm -55.85 -50.14 71.41 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.313 -0.867 . . . . 0.0 108.988 178.505 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.582 HD21 ' HA ' ' A' ' 13' ' ' VAL . 33.8 mt -67.74 -44.7 76.94 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.499 -0.751 . . . . 0.0 109.316 179.285 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 67' ' ' GLU . 98.1 t -56.05 -45.54 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 121.586 -0.696 . . . . 0.0 110.124 179.721 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -55.08 6.41 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.455 -0.778 . . . . 0.0 110.429 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 45' ' ' ILE . 73.2 mt -58.71 -30.62 67.56 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.096 -1.003 . . . . 0.0 111.226 -179.214 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -77.88 -6.79 55.44 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.939 -1.101 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.581 ' HE3' ' O ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -118.39 -32.65 4.58 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.802 -1.186 . . . . 0.0 111.194 -179.76 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.551 ' O ' ' HE2' ' A' ' 75' ' ' LYS . 2.4 mt . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 117.28 -1.343 . . . . 0.0 112.628 179.57 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.639 0 O4'-C1'-N19 111.561 3.361 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.439 " H2'" ' C8 ' ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 O4'-C1'-N19 110.964 2.764 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 3' ' ' ' A' . . . . . 0.57 " O2'" ' HB3' ' A' ' 36' ' ' HIS . . . . . . . . 0 P--O5' 1.616 2.284 0 O4'-C1'-N19 110.987 2.787 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 4' ' ' ' C' . . . . . 0.438 ' C6 ' " H2'" ' B' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.44 2.189 0 C5'-C4'-C3' 111.496 -2.669 . 0.098 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 5' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.438 2.014 0 C5'-C4'-C3' 111.089 -2.941 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 6' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.983 0 C5'-C4'-C3' 111.193 -2.871 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 7' ' ' ' C' . . . . . 0.415 " H2'" ' C6 ' ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.429 -1.984 0 O4'-C1'-N19 111.105 2.905 . 0.263 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 8' ' ' ' U' . . . . . 0.526 ' H6 ' " O5'" ' B' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 2.041 0 C5'-C4'-C3' 111.286 -2.809 . 0.391 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.846 0 C5'-C4'-C3' 111.29 -2.807 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 10' ' ' ' U' . . . . . 0.414 " H2'" ' C6 ' ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.088 0 O4'-C1'-N19 111.016 2.816 . 0.243 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 11' ' ' ' C' . . . . . 0.415 ' H6 ' " O5'" ' B' ' 11' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.072 0 O4'-C1'-N19 111.075 2.875 . 0.235 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 12' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.233 0 O4'-C1'-N19 111.112 2.912 . 0.133 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 13' ' ' ' C' . . . . . 0.524 ' H6 ' " O5'" ' B' ' 13' ' ' ' C' . . . . . . . . 0 P--O5' 1.614 2.065 0 O4'-C1'-N19 111.209 3.009 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 14' ' ' ' U' . . . . . 0.609 " H2'" ' C4 ' ' B' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.426 -2.265 0 C5'-C4'-C3' 110.841 -3.106 . 0.202 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 15' ' ' ' U' . . . . . 0.597 ' C2 ' ' HB3' ' A' ' 11' ' ' SER . . . . . . . . 0 P--O5' 1.61 1.71 0 C5'-C4'-C3' 111.092 -2.939 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 16' ' ' ' C' . . . . . 0.609 ' C4 ' " H2'" ' B' ' 14' ' ' ' U' . . . . . . . . 0 P--O5' 1.616 2.254 0 O4'-C1'-N19 111.279 3.079 . 0.114 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.528 " H3'" ' N3 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.09 0 C5'-C4'-C3' 111.131 -2.913 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 18' ' ' ' G' . . . . . 0.492 " H2'" " O4'" ' B' ' 19' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.967 0 C5'-C4'-C3' 110.924 -3.05 . 0.126 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 19' ' ' ' G' . . . . . 0.492 " O4'" " H2'" ' B' ' 18' ' ' ' G' . . . . . . . . 0 P--O5' 1.613 1.988 0 C5'-C4'-C3' 111.361 -2.759 . 0.105 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.613 1.979 0 C5'-C4'-C3' 110.992 -3.005 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 21' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.08 0 C5'-C4'-C3' 111.238 -2.841 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 22' ' ' ' C' . . . . . 0.616 ' H6 ' " O5'" ' B' ' 22' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.436 1.856 0 C5'-C4'-C3' 111.15 -2.9 . 0.188 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 23' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.1 0 C5'-C4'-C3' 111.247 -2.835 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 24' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.061 0 O4'-C1'-N19 111.066 2.866 . 0.271 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.147 0 C5'-C4'-C3' 111.105 -2.93 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 26' ' ' ' U' . . . . . 0.522 ' H6 ' " O5'" ' B' ' 26' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.438 1.961 0 O4'-C1'-N19 111.013 2.813 . 0.281 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.102 0 C5'-C4'-C3' 111.251 -2.833 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 28' ' ' ' U' . . . . . 0.497 " H2'" ' C6 ' ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 2.016 0 O4'-C1'-N19 111.096 2.896 . 0.292 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.68 ' H6 ' " O5'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.103 0 C5'-C4'-C3' 111.03 -2.98 . 0.392 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 30' ' ' ' C' . . . . . 0.484 ' C5 ' " H2'" ' B' ' 29' ' ' ' C' . . . . . . . . 0 P--O5' 1.618 2.506 0 O4'-C1'-N19 111.019 2.819 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 stop_ save_