data_2bbp_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 2bbp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.523 0.201 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.0 m -133.07 141.54 48.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.42 93.06 0.04 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.529 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.4 tt -139.72 59.02 12.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.03 -20.41 16.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -167.26 -46.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.645 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -173.34 143.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.645 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -17.75 96.67 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.4 Cg_endo -74.97 -73.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -102.68 -30.97 10.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.418 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 2.4 m -62.79 163.1 17.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.368 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 -56.36 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.8 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.682 ' O ' HG21 ' A' ' 18' ' ' THR . 54.4 m -154.8 86.61 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' ARG . 19.5 mm 42.18 45.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' ILE . 10.4 mtt180 34.94 73.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.682 HG21 ' O ' ' A' ' 15' ' ' THR . 12.0 t -150.36 -36.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.51 -55.72 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.3 p90 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.543 0.211 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.7 m -112.15 73.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.46 96.84 1.46 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.52 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.5 tt -136.92 59.45 23.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.367 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 17.9 Cg_endo -75.1 -21.42 15.68 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.478 1.778 . . . . 0.0 110.969 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -166.83 -47.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.607 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.69 147.21 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -22.18 98.04 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.7 Cg_endo -74.95 -71.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -106.66 -28.2 10.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.405 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 2.9 m -63.1 162.43 23.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.08 -56.71 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.43 1.753 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.593 ' O ' HG22 ' A' ' 18' ' ' THR . 51.8 m -150.77 86.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.2 mm 47.68 34.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.83 65.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 15' ' ' THR . 9.8 t -143.88 -35.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.87 -56.68 4.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.2 mttt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.556 0.217 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 97.5 m -125.89 141.07 52.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.0 89.64 0.1 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.571 1.169 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.483 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 tt -140.12 61.28 17.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.483 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.93 -21.52 15.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.449 1.762 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -168.26 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.595 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.67 141.65 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.595 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -23.18 98.14 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.2 Cg_endo -74.94 -18.56 18.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -170.51 -43.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 33.4 m -43.67 143.26 1.66 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 13' ' ' VAL . 18.0 Cg_endo -75.0 97.79 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 18' ' ' THR . 19.6 m 55.56 79.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' THR . 3.9 mm 39.1 45.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER 37.08 70.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 15' ' ' THR . 5.6 t -148.83 -25.54 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.65 -63.42 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.5 tttt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 109.286 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.546 0.212 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m -110.97 137.28 48.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.59 -85.87 0.95 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.674 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 tt 49.7 50.03 8.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -75.0 -21.12 16.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -169.29 -47.0 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.157 . . . . 0.0 109.358 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.59 142.81 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.615 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -21.86 98.37 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.0 Cg_endo -75.05 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -110.28 -28.6 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.426 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 3.4 m -59.73 162.45 9.15 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -53.5 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 18' ' ' THR . 97.9 m -154.3 86.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.467 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm 42.13 41.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 39.52 65.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -140.91 -36.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.38 -55.23 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.399 1.062 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.2 mttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.495 0.188 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.4 m -135.77 81.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.05 90.34 1.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.512 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.3 tt -139.18 59.7 15.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.512 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.97 -20.03 17.34 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -168.69 -48.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.616 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.81 145.06 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 9' ' ' LYS . 20.9 pttt -21.61 97.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.2 Cg_endo -75.01 -72.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.443 1.76 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -107.56 -26.1 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -63.94 160.35 47.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -56.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.443 1.76 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.8 m -147.92 85.43 1.55 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.584 1.177 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.9 mm 47.11 33.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.04 64.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 t -143.65 -37.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.65 -56.52 15.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.7 mttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.235 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.673 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 15.7 t80 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.498 0.19 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.0 m -106.35 77.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.64 98.05 2.5 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.539 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.6 tt -138.11 58.36 15.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.579 0.811 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.99 -19.1 18.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.31 -48.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.619 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.46 145.3 3.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.619 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -20.3 98.45 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -105.79 -30.67 9.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 m -64.44 160.45 51.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -56.06 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 18' ' ' THR . 62.8 m -145.71 83.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.8 mm 51.92 20.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.87 23.82 13.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 15' ' ' THR . 3.2 t -96.52 -28.17 14.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.02 -46.84 19.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.1 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.5 0.19 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.9 m -102.06 141.08 35.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.92 90.18 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.811 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.3 tt -149.64 40.73 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.811 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.98 -37.12 2.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -167.58 -32.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.66 141.94 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.4 pttt -29.87 101.36 0.15 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -69.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.572 1.827 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -107.46 -40.73 5.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 4.8 m -54.55 165.77 0.84 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.535 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.06 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -145.23 81.4 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mm 51.67 20.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 66.84 33.6 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.416 1.073 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -107.53 -34.0 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.24 -54.4 17.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.8 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.525 0.202 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -33.28 -60.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.405 1.066 . . . . 0.0 110.329 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -174.1 -5.73 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.1 tt 36.26 57.15 3.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.97 -15.97 20.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -169.0 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.687 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 178.03 140.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.687 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -10.42 90.41 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 Cg_endo -75.08 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -135.36 41.59 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.59 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 9.8 m -131.57 168.11 18.92 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.59 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.01 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.505 ' O ' HG21 ' A' ' 18' ' ' THR . 58.1 m -150.06 85.91 1.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.7 mm 46.61 35.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 45.14 68.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.505 HG21 ' O ' ' A' ' 15' ' ' THR . 5.3 t -145.75 -37.62 0.26 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.94 -57.13 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 mttt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.1 t80 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.439 0.161 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.4 m -102.08 141.12 35.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.9 90.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.812 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.3 tt -149.65 40.83 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.812 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.1 Cg_endo -75.05 -37.13 2.14 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -167.54 -32.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.526 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.65 141.81 2.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.4 pttt -29.8 101.34 0.15 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -69.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -107.45 -40.74 5.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 4.8 m -54.55 165.74 0.85 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.646 1.216 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.535 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -74.97 -57.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.53 1.805 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.8 m -145.23 81.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.423 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm 51.69 20.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 66.8 33.6 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -107.61 -33.93 7.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.17 -54.49 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.6 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.486 0.184 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -33.27 -60.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -174.18 -5.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.561 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.0 tt 36.29 57.14 3.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.561 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.11 -15.81 20.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -169.09 -54.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.25 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.687 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 178.06 140.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.687 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -10.47 90.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 Cg_endo -74.98 -59.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.414 1.744 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -135.42 41.69 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.591 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 9.9 m -131.68 168.13 18.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.591 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.93 -57.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.505 ' O ' HG21 ' A' ' 18' ' ' THR . 57.9 m -150.03 85.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.47 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.7 mm 46.56 35.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 44.99 68.15 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.505 HG21 ' O ' ' A' ' 15' ' ' THR . 5.3 t -145.74 -37.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.0 -57.23 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 mttt . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.39 -61.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 49.36 91.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.0 m -133.07 141.54 48.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.42 93.06 0.04 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.529 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.4 tt -139.72 59.02 12.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.03 -20.41 16.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -167.26 -46.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.645 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -173.34 143.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.645 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -17.75 96.67 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.4 Cg_endo -74.97 -73.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -102.68 -30.97 10.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.418 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 2.4 m -62.79 163.1 17.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.368 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.418 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 -56.36 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.8 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.682 ' O ' HG21 ' A' ' 18' ' ' THR . 54.4 m -154.8 86.61 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' ARG . 19.5 mm 42.18 45.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' ILE . 10.4 mtt180 34.94 73.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.682 HG21 ' O ' ' A' ' 15' ' ' THR . 12.0 t -150.36 -36.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.51 -55.72 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -129.8 80.16 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.08 -38.09 81.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.643 ' O ' ' C ' ' A' ' 3' ' ' TYR . . . -114.49 -17.69 11.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 0.802 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.643 ' C ' ' O ' ' A' ' 2' ' ' ALA . 4.3 p90 12.45 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.7 m -112.15 73.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.46 96.84 1.46 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.52 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.5 tt -136.92 59.45 23.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.367 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 17.9 Cg_endo -75.1 -21.42 15.68 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.478 1.778 . . . . 0.0 110.969 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -166.83 -47.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.607 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.69 147.21 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -22.18 98.04 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.7 Cg_endo -74.95 -71.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -106.66 -28.2 10.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.405 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 2.9 m -63.1 162.43 23.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.08 -56.71 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.43 1.753 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.593 ' O ' HG22 ' A' ' 18' ' ' THR . 51.8 m -150.77 86.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 9.2 mm 47.68 34.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.83 65.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 15' ' ' THR . 9.8 t -143.88 -35.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.87 -56.68 4.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -123.0 78.38 1.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.1 t -63.54 -37.72 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.22 -45.31 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 49.01 76.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 97.5 m -125.89 141.07 52.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.0 89.64 0.1 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.571 1.169 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.483 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 tt -140.12 61.28 17.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.483 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.93 -21.52 15.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.449 1.762 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -168.26 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.595 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.67 141.65 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.595 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -23.18 98.14 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.2 Cg_endo -74.94 -18.56 18.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -170.51 -43.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 33.4 m -43.67 143.26 1.66 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 13' ' ' VAL . 18.0 Cg_endo -75.0 97.79 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 18' ' ' THR . 19.6 m 55.56 79.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' THR . 3.9 mm 39.1 45.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER 37.08 70.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 15' ' ' THR . 5.6 t -148.83 -25.54 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.65 -63.42 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -98.09 -7.21 30.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 t 49.21 50.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.307 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.407 ' C ' ' CG ' ' A' ' 3' ' ' TYR . . . -163.05 -51.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 109.35 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CG ' ' C ' ' A' ' 2' ' ' ALA . 0.4 OUTLIER 52.09 91.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m -110.97 137.28 48.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.59 -85.87 0.95 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.674 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 tt 49.7 50.03 8.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -75.0 -21.12 16.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -169.29 -47.0 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.157 . . . . 0.0 109.358 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.59 142.81 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.615 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -21.86 98.37 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.0 Cg_endo -75.05 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -110.28 -28.6 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.426 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 3.4 m -59.73 162.45 9.15 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -53.5 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 18' ' ' THR . 97.9 m -154.3 86.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.467 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm 42.13 41.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 39.52 65.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -140.91 -36.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.38 -55.23 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.399 1.062 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -121.67 79.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.0 t -66.72 -32.93 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.37 -34.16 10.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 44.5 88.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.4 m -135.77 81.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.05 90.34 1.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.3 tt -139.18 59.7 15.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.512 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.97 -20.03 17.34 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -168.69 -48.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.616 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.81 145.06 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 9' ' ' LYS . 20.9 pttt -21.61 97.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.2 Cg_endo -75.01 -72.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.443 1.76 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -107.56 -26.1 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -63.94 160.35 47.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -56.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.443 1.76 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.8 m -147.92 85.43 1.55 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.584 1.177 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 36.9 mm 47.11 33.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.04 64.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 t -143.65 -37.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.65 -56.52 15.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -130.06 -98.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.235 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -159.71 -58.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.3 35.16 25.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.258 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.673 ' O ' ' CG ' ' A' ' 3' ' ' TYR . 15.7 t80 175.84 53.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.0 m -106.35 77.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.64 98.05 2.5 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.539 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.6 tt -138.11 58.36 15.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.579 0.811 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.539 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.99 -19.1 18.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.31 -48.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.619 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.46 145.3 3.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.619 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -20.3 98.45 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -105.79 -30.67 9.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 m -64.44 160.45 51.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -56.06 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 18' ' ' THR . 62.8 m -145.71 83.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.8 mm 51.92 20.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.87 23.82 13.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 15' ' ' THR . 3.2 t -96.52 -28.17 14.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.02 -46.84 19.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -116.07 73.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 t -64.73 -34.69 71.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.806 ' HA ' ' O ' ' A' ' 16' ' ' ILE . . . 68.19 115.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -173.11 -27.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.9 m -102.06 141.08 35.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.92 90.18 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.811 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.3 tt -149.64 40.73 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.811 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.98 -37.12 2.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -167.58 -32.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.66 141.94 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.4 pttt -29.87 101.36 0.15 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -69.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.572 1.827 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -107.46 -40.73 5.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 4.8 m -54.55 165.77 0.84 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.535 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.06 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -145.23 81.4 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.806 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 3.6 mm 51.67 20.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 66.84 33.6 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.416 1.073 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -107.53 -34.0 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.24 -54.4 17.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -128.41 104.55 7.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.06 134.95 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.47 -40.28 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.8 m-85 48.5 86.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.459 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -33.28 -60.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.405 1.066 . . . . 0.0 110.329 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -174.1 -5.73 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.1 tt 36.26 57.15 3.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.97 -15.97 20.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -169.0 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.687 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 178.03 140.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.687 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -10.42 90.41 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 Cg_endo -75.08 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -135.36 41.59 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.59 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 9.8 m -131.57 168.11 18.92 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.59 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.01 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.505 ' O ' HG21 ' A' ' 18' ' ' THR . 58.1 m -150.06 85.91 1.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.7 mm 46.61 35.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 45.14 68.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.505 HG21 ' O ' ' A' ' 15' ' ' THR . 5.3 t -145.75 -37.62 0.26 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.94 -57.13 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -128.89 83.29 2.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -67.4 -36.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.806 ' HA ' ' O ' ' A' ' 16' ' ' ILE . . . 68.34 115.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -173.13 -27.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.4 m -102.08 141.12 35.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.9 90.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.812 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.3 tt -149.65 40.83 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.812 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.1 Cg_endo -75.05 -37.13 2.14 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -167.54 -32.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.526 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.65 141.81 2.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.4 pttt -29.8 101.34 0.15 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -69.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -107.45 -40.74 5.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 4.8 m -54.55 165.74 0.85 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.646 1.216 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.535 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -74.97 -57.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.53 1.805 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.8 m -145.23 81.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.423 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.806 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 3.5 mm 51.69 20.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 66.8 33.6 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -107.61 -33.93 7.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.17 -54.49 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -128.4 104.52 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.04 134.93 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.398 1.061 . . . . 0.0 110.294 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.42 -40.25 6.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 0.739 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.6 m-85 48.5 86.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.2 OUTLIER -33.27 -60.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -174.18 -5.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.561 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.0 tt 36.29 57.14 3.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.561 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.11 -15.81 20.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -169.09 -54.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.25 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.687 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 178.06 140.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.687 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -10.47 90.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 Cg_endo -74.98 -59.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.414 1.744 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -135.42 41.69 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.591 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 9.9 m -131.68 168.13 18.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.591 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.93 -57.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.505 ' O ' HG21 ' A' ' 18' ' ' THR . 57.9 m -150.03 85.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.47 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.7 mm 46.56 35.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 44.99 68.15 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.505 HG21 ' O ' ' A' ' 15' ' ' THR . 5.3 t -145.74 -37.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.0 -57.23 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -128.85 83.34 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.2 t -67.38 -36.02 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.523 0.201 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.0 m -133.07 141.54 48.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.42 93.06 0.04 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.53 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.4 tt -139.72 59.02 12.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.03 -20.41 16.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -167.26 -46.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.645 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -173.34 143.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.645 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -17.75 96.67 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.4 Cg_endo -74.97 -73.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -102.68 -30.97 10.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.416 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 2.4 m -62.79 163.1 17.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.368 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 -56.36 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.8 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.766 ' O ' HG22 ' A' ' 18' ' ' THR . 54.4 m -154.8 86.61 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' ARG . 19.5 mm 42.18 45.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' ILE . 10.4 mtt180 34.94 73.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.766 HG22 ' O ' ' A' ' 15' ' ' THR . 12.0 t -150.36 -36.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.51 -55.72 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.3 p90 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.543 0.211 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.7 m -112.15 73.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.46 96.84 1.46 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.519 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.5 tt -136.92 59.45 23.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.367 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 17.9 Cg_endo -75.1 -21.42 15.68 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.478 1.778 . . . . 0.0 110.969 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -166.83 -47.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.607 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.69 147.21 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -22.18 98.04 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.7 Cg_endo -74.95 -71.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -106.66 -28.2 10.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.406 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 2.9 m -63.1 162.43 23.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.08 -56.71 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.43 1.753 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.635 ' O ' HG22 ' A' ' 18' ' ' THR . 51.8 m -150.77 86.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 16' ' ' ILE . 9.2 mm 47.68 34.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.83 65.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 15' ' ' THR . 9.8 t -143.88 -35.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.87 -56.68 4.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.2 mttt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.556 0.217 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 97.5 m -125.89 141.07 52.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.0 89.64 0.1 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.571 1.169 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.484 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 tt -140.12 61.28 17.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.93 -21.52 15.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.449 1.762 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -168.26 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.595 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.67 141.65 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.595 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -23.18 98.14 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.2 Cg_endo -74.94 -18.56 18.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -170.51 -43.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 33.4 m -43.67 143.26 1.66 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 13' ' ' VAL . 18.0 Cg_endo -75.0 97.79 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.615 ' O ' HG22 ' A' ' 18' ' ' THR . 19.6 m 55.56 79.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' THR . 3.9 mm 39.1 45.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER 37.08 70.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 15' ' ' THR . 5.6 t -148.83 -25.54 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.65 -63.42 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.5 tttt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 109.286 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.546 0.212 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m -110.97 137.28 48.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.59 -85.87 0.95 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.674 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 tt 49.7 50.03 8.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -75.0 -21.12 16.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -169.29 -47.0 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.157 . . . . 0.0 109.358 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.59 142.81 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.615 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -21.86 98.37 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.0 Cg_endo -75.05 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -110.28 -28.6 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.426 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 3.4 m -59.73 162.45 9.15 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -53.5 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 18' ' ' THR . 97.9 m -154.3 86.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.467 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm 42.13 41.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 39.52 65.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -140.91 -36.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.38 -55.23 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.399 1.062 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.2 mttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.495 0.188 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.4 m -135.77 81.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.05 90.34 1.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.513 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.3 tt -139.18 59.7 15.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.97 -20.03 17.34 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -168.69 -48.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.616 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.81 145.06 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 9' ' ' LYS . 20.9 pttt -21.61 97.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.2 Cg_endo -75.01 -72.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.443 1.76 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -107.56 -26.1 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -63.94 160.35 47.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -56.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.443 1.76 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.8 m -147.92 85.43 1.55 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.584 1.177 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.577 ' O ' HG22 ' A' ' 16' ' ' ILE . 36.9 mm 47.11 33.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.04 64.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 t -143.65 -37.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.65 -56.52 15.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.7 mttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.235 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.673 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 15.7 t80 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.498 0.19 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.0 m -106.35 77.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.64 98.05 2.5 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.538 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.6 tt -138.11 58.36 15.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.579 0.811 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.99 -19.1 18.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.31 -48.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.619 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.46 145.3 3.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.619 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -20.3 98.45 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -105.79 -30.67 9.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 m -64.44 160.45 51.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -56.06 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 18' ' ' THR . 62.8 m -145.71 83.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.424 ' O ' HG22 ' A' ' 16' ' ' ILE . 6.8 mm 51.92 20.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.87 23.82 13.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 15' ' ' THR . 3.2 t -96.52 -28.17 14.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.02 -46.84 19.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.1 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.5 0.19 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.9 m -102.06 141.08 35.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.92 90.18 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.812 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.3 tt -149.64 40.73 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.812 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.98 -37.12 2.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -167.58 -32.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.66 141.94 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.4 pttt -29.87 101.36 0.15 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -69.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.572 1.827 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -107.46 -40.73 5.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 4.8 m -54.55 165.77 0.84 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.06 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -145.23 81.4 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mm 51.67 20.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 66.84 33.6 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.416 1.073 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -107.53 -34.0 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.24 -54.4 17.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.8 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.525 0.202 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.528 ' OG1' HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -33.28 -60.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.405 1.066 . . . . 0.0 110.329 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -174.1 -5.73 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.1 tt 36.26 57.15 3.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.97 -15.97 20.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -169.0 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.687 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 178.03 140.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.687 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -10.42 90.41 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 Cg_endo -75.08 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -135.36 41.59 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.589 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 9.8 m -131.57 168.11 18.92 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.589 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.01 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.561 ' O ' HG22 ' A' ' 18' ' ' THR . 58.1 m -150.06 85.91 1.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.7 mm 46.61 35.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 45.14 68.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -145.75 -37.62 0.26 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.94 -57.13 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 mttt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.1 t80 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.439 0.161 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.4 m -102.08 141.12 35.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.9 90.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.813 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.3 tt -149.65 40.83 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.813 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.1 Cg_endo -75.05 -37.13 2.14 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -167.54 -32.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.526 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.65 141.81 2.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.4 pttt -29.8 101.34 0.15 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -69.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -107.45 -40.74 5.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 4.8 m -54.55 165.74 0.85 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.646 1.216 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -74.97 -57.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.53 1.805 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.8 m -145.23 81.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.423 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm 51.69 20.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 66.8 33.6 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -107.61 -33.93 7.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.17 -54.49 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.6 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.486 0.184 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.526 ' OG1' HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -33.27 -60.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -174.18 -5.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.0 tt 36.29 57.14 3.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.11 -15.81 20.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -169.09 -54.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.25 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.687 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 178.06 140.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.687 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -10.47 90.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 Cg_endo -74.98 -59.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.414 1.744 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -135.42 41.69 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.59 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 9.9 m -131.68 168.13 18.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.59 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.93 -57.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.561 ' O ' HG22 ' A' ' 18' ' ' THR . 57.9 m -150.03 85.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.47 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.7 mm 46.56 35.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 44.99 68.15 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -145.74 -37.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.0 -57.23 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 mttt . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.39 -61.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 49.36 91.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.0 m -133.07 141.54 48.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.42 93.06 0.04 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.53 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.4 tt -139.72 59.02 12.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.03 -20.41 16.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -167.26 -46.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.645 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -173.34 143.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.645 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -17.75 96.67 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.4 Cg_endo -74.97 -73.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -102.68 -30.97 10.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.416 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 2.4 m -62.79 163.1 17.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.368 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 -56.36 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.8 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.766 ' O ' HG22 ' A' ' 18' ' ' THR . 54.4 m -154.8 86.61 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' ARG . 19.5 mm 42.18 45.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' ILE . 10.4 mtt180 34.94 73.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.766 HG22 ' O ' ' A' ' 15' ' ' THR . 12.0 t -150.36 -36.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.51 -55.72 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -129.8 80.16 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.08 -38.09 81.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.643 ' O ' ' C ' ' A' ' 3' ' ' TYR . . . -114.49 -17.69 11.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 0.802 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.643 ' C ' ' O ' ' A' ' 2' ' ' ALA . 4.3 p90 12.45 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.7 m -112.15 73.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.46 96.84 1.46 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.519 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.5 tt -136.92 59.45 23.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.367 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 17.9 Cg_endo -75.1 -21.42 15.68 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.478 1.778 . . . . 0.0 110.969 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -166.83 -47.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.607 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.69 147.21 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -22.18 98.04 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.7 Cg_endo -74.95 -71.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -106.66 -28.2 10.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.406 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 2.9 m -63.1 162.43 23.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.08 -56.71 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.43 1.753 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.635 ' O ' HG22 ' A' ' 18' ' ' THR . 51.8 m -150.77 86.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 16' ' ' ILE . 9.2 mm 47.68 34.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.83 65.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 15' ' ' THR . 9.8 t -143.88 -35.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.87 -56.68 4.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -123.0 78.38 1.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.1 t -63.54 -37.72 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.22 -45.31 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 49.01 76.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 97.5 m -125.89 141.07 52.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.0 89.64 0.1 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.571 1.169 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.484 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 tt -140.12 61.28 17.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.93 -21.52 15.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.449 1.762 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -168.26 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.595 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.67 141.65 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.595 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -23.18 98.14 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.2 Cg_endo -74.94 -18.56 18.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -170.51 -43.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 33.4 m -43.67 143.26 1.66 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 13' ' ' VAL . 18.0 Cg_endo -75.0 97.79 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.615 ' O ' HG22 ' A' ' 18' ' ' THR . 19.6 m 55.56 79.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' THR . 3.9 mm 39.1 45.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER 37.08 70.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 15' ' ' THR . 5.6 t -148.83 -25.54 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.65 -63.42 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -98.09 -7.21 30.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 t 49.21 50.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.307 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.53 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -163.05 -51.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 109.35 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CG ' ' C ' ' A' ' 2' ' ' ALA . 0.4 OUTLIER 52.09 91.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m -110.97 137.28 48.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.59 -85.87 0.95 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.674 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 tt 49.7 50.03 8.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -75.0 -21.12 16.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -169.29 -47.0 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.157 . . . . 0.0 109.358 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.59 142.81 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.615 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -21.86 98.37 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.0 Cg_endo -75.05 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -110.28 -28.6 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.426 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 3.4 m -59.73 162.45 9.15 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -53.5 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 18' ' ' THR . 97.9 m -154.3 86.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.467 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm 42.13 41.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HB3' ' HB3' ' A' ' 2' ' ' ALA . 5.8 mmt180 39.52 65.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -140.91 -36.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.38 -55.23 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.399 1.062 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -121.67 79.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.0 t -66.72 -32.93 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.37 -34.16 10.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 44.5 88.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.4 m -135.77 81.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.05 90.34 1.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.3 tt -139.18 59.7 15.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.97 -20.03 17.34 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -168.69 -48.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.616 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.81 145.06 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 9' ' ' LYS . 20.9 pttt -21.61 97.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.2 Cg_endo -75.01 -72.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.443 1.76 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -107.56 -26.1 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -63.94 160.35 47.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -56.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.443 1.76 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.8 m -147.92 85.43 1.55 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.584 1.177 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.577 ' O ' HG22 ' A' ' 16' ' ' ILE . 36.9 mm 47.11 33.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.04 64.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 t -143.65 -37.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.65 -56.52 15.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' C ' HG22 ' A' ' 21' ' ' VAL . 94.7 mttt -130.06 -98.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.235 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.437 HG22 ' C ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -159.71 -58.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.3 35.16 25.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.258 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.673 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 15.7 t80 175.84 53.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.0 m -106.35 77.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.64 98.05 2.5 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.538 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.6 tt -138.11 58.36 15.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.579 0.811 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.99 -19.1 18.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.31 -48.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.619 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.46 145.3 3.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.619 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -20.3 98.45 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -105.79 -30.67 9.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 m -64.44 160.45 51.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -56.06 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 18' ' ' THR . 62.8 m -145.71 83.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.424 ' O ' HG22 ' A' ' 16' ' ' ILE . 6.8 mm 51.92 20.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.87 23.82 13.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 15' ' ' THR . 3.2 t -96.52 -28.17 14.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.02 -46.84 19.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -116.07 73.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 t -64.73 -34.69 71.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.826 ' HA ' ' O ' ' A' ' 16' ' ' ILE . . . 68.19 115.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -173.11 -27.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.9 m -102.06 141.08 35.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.92 90.18 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.812 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.3 tt -149.64 40.73 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.812 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.98 -37.12 2.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -167.58 -32.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.66 141.94 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.4 pttt -29.87 101.36 0.15 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -69.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.572 1.827 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -107.46 -40.73 5.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 4.8 m -54.55 165.77 0.84 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.06 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -145.23 81.4 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.826 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 3.6 mm 51.67 20.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 66.84 33.6 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.416 1.073 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -107.53 -34.0 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.24 -54.4 17.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -128.41 104.55 7.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.06 134.95 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.47 -40.28 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.8 m-85 48.5 86.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.528 ' OG1' HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -33.28 -60.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.405 1.066 . . . . 0.0 110.329 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -174.1 -5.73 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.1 tt 36.26 57.15 3.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.97 -15.97 20.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -169.0 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.687 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 178.03 140.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.687 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -10.42 90.41 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 Cg_endo -75.08 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -135.36 41.59 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.589 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 9.8 m -131.57 168.11 18.92 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.589 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.01 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.561 ' O ' HG22 ' A' ' 18' ' ' THR . 58.1 m -150.06 85.91 1.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.7 mm 46.61 35.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 45.14 68.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -145.75 -37.62 0.26 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.94 -57.13 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -128.89 83.29 2.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -67.4 -36.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.825 ' HA ' ' O ' ' A' ' 16' ' ' ILE . . . 68.34 115.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -173.13 -27.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.4 m -102.08 141.12 35.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.9 90.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.813 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.3 tt -149.65 40.83 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.813 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.1 Cg_endo -75.05 -37.13 2.14 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -167.54 -32.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.526 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.65 141.81 2.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.4 pttt -29.8 101.34 0.15 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -69.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -107.45 -40.74 5.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 4.8 m -54.55 165.74 0.85 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.646 1.216 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -74.97 -57.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.53 1.805 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.8 m -145.23 81.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.423 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.825 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 3.5 mm 51.69 20.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 66.8 33.6 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -107.61 -33.93 7.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.17 -54.49 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -128.4 104.52 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.04 134.93 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.398 1.061 . . . . 0.0 110.294 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.42 -40.25 6.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 0.739 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.6 m-85 48.5 86.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.526 ' OG1' HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -33.27 -60.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -174.18 -5.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.0 tt 36.29 57.14 3.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.11 -15.81 20.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -169.09 -54.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.25 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.687 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 178.06 140.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.687 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -10.47 90.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 Cg_endo -74.98 -59.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.414 1.744 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -135.42 41.69 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.59 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 9.9 m -131.68 168.13 18.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.59 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.93 -57.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.561 ' O ' HG22 ' A' ' 18' ' ' THR . 57.9 m -150.03 85.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.47 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.7 mm 46.56 35.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 44.99 68.15 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -145.74 -37.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.0 -57.23 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -128.85 83.34 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.2 t -67.38 -36.02 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.523 0.201 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.0 m -133.07 141.54 48.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.42 93.06 0.04 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.53 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.4 tt -139.72 59.02 12.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.03 -20.41 16.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -167.26 -46.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.645 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -173.34 143.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.645 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -17.75 96.67 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.4 Cg_endo -74.97 -73.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -102.68 -30.97 10.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.416 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 2.4 m -62.79 163.1 17.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.368 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 -56.36 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.8 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.766 ' O ' HG22 ' A' ' 18' ' ' THR . 54.4 m -154.8 86.61 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' ARG . 19.5 mm 42.18 45.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' ILE . 10.4 mtt180 34.94 73.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.766 HG22 ' O ' ' A' ' 15' ' ' THR . 12.0 t -150.36 -36.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.51 -55.72 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.3 mttt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.3 p90 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.543 0.211 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.7 m -112.15 73.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.46 96.84 1.46 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.519 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.5 tt -136.92 59.45 23.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.367 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 17.9 Cg_endo -75.1 -21.42 15.68 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.478 1.778 . . . . 0.0 110.969 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -166.83 -47.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.607 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.69 147.21 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -22.18 98.04 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.7 Cg_endo -74.95 -71.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -106.66 -28.2 10.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.406 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 2.9 m -63.1 162.43 23.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.08 -56.71 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.43 1.753 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.635 ' O ' HG22 ' A' ' 18' ' ' THR . 51.8 m -150.77 86.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 16' ' ' ILE . 9.2 mm 47.68 34.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.83 65.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 15' ' ' THR . 9.8 t -143.88 -35.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.87 -56.68 4.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.2 mttt . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.556 0.217 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 97.5 m -125.89 141.07 52.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.0 89.64 0.1 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.571 1.169 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.484 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 tt -140.12 61.28 17.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.93 -21.52 15.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.449 1.762 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -168.26 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.595 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.67 141.65 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.595 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -23.18 98.14 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.2 Cg_endo -74.94 -18.56 18.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -170.51 -43.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 33.4 m -43.67 143.26 1.66 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 13' ' ' VAL . 18.0 Cg_endo -75.0 97.79 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.615 ' O ' HG22 ' A' ' 18' ' ' THR . 19.6 m 55.56 79.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' THR . 3.9 mm 39.1 45.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER 37.08 70.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 15' ' ' THR . 5.6 t -148.83 -25.54 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.65 -63.42 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.5 tttt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 109.286 -179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.546 0.212 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m -110.97 137.28 48.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.59 -85.87 0.95 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.674 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 tt 49.7 50.03 8.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -75.0 -21.12 16.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -169.29 -47.0 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.157 . . . . 0.0 109.358 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.59 142.81 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.615 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -21.86 98.37 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.0 Cg_endo -75.05 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -110.28 -28.6 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.426 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 3.4 m -59.73 162.45 9.15 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -53.5 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 18' ' ' THR . 97.9 m -154.3 86.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.467 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm 42.13 41.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 39.52 65.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -140.91 -36.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.38 -55.23 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.399 1.062 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.2 mttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.495 0.188 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.4 m -135.77 81.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.05 90.34 1.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.513 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.3 tt -139.18 59.7 15.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.97 -20.03 17.34 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -168.69 -48.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.616 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.81 145.06 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 9' ' ' LYS . 20.9 pttt -21.61 97.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.2 Cg_endo -75.01 -72.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.443 1.76 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -107.56 -26.1 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -63.94 160.35 47.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -56.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.443 1.76 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.8 m -147.92 85.43 1.55 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.584 1.177 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.577 ' O ' HG22 ' A' ' 16' ' ' ILE . 36.9 mm 47.11 33.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.04 64.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 t -143.65 -37.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.65 -56.52 15.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.7 mttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.235 -179.921 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.673 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 15.7 t80 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.498 0.19 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.0 m -106.35 77.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.64 98.05 2.5 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.538 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.6 tt -138.11 58.36 15.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.579 0.811 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.99 -19.1 18.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.31 -48.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.619 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.46 145.3 3.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.619 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -20.3 98.45 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -105.79 -30.67 9.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 m -64.44 160.45 51.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -56.06 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 18' ' ' THR . 62.8 m -145.71 83.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.424 ' O ' HG22 ' A' ' 16' ' ' ILE . 6.8 mm 51.92 20.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.87 23.82 13.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 15' ' ' THR . 3.2 t -96.52 -28.17 14.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.02 -46.84 19.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 tttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.1 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.5 0.19 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.9 m -102.06 141.08 35.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.92 90.18 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.812 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.3 tt -149.64 40.73 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.812 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.98 -37.12 2.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -167.58 -32.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.66 141.94 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.4 pttt -29.87 101.36 0.15 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -69.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.572 1.827 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -107.46 -40.73 5.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 4.8 m -54.55 165.77 0.84 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.06 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -145.23 81.4 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mm 51.67 20.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 66.84 33.6 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.416 1.073 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -107.53 -34.0 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.24 -54.4 17.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.8 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.525 0.202 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.528 ' OG1' HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -33.28 -60.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.405 1.066 . . . . 0.0 110.329 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -174.1 -5.73 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.1 tt 36.26 57.15 3.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.97 -15.97 20.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -169.0 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.687 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 178.03 140.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.687 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -10.42 90.41 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 Cg_endo -75.08 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -135.36 41.59 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.589 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 9.8 m -131.57 168.11 18.92 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.589 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.01 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.561 ' O ' HG22 ' A' ' 18' ' ' THR . 58.1 m -150.06 85.91 1.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.7 mm 46.61 35.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 45.14 68.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -145.75 -37.62 0.26 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.94 -57.13 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 mttt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.1 t80 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.439 0.161 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.4 m -102.08 141.12 35.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.9 90.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.813 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.3 tt -149.65 40.83 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.813 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.1 Cg_endo -75.05 -37.13 2.14 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -167.54 -32.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.526 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.65 141.81 2.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.4 pttt -29.8 101.34 0.15 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -69.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -107.45 -40.74 5.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 4.8 m -54.55 165.74 0.85 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.646 1.216 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -74.97 -57.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.53 1.805 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.8 m -145.23 81.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.423 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.5 mm 51.69 20.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 66.8 33.6 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -107.61 -33.93 7.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.17 -54.49 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.6 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.486 0.184 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.526 ' OG1' HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -33.27 -60.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -174.18 -5.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.0 tt 36.29 57.14 3.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.11 -15.81 20.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -169.09 -54.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.25 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.687 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 178.06 140.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.687 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -10.47 90.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 Cg_endo -74.98 -59.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.414 1.744 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -135.42 41.69 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.59 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 9.9 m -131.68 168.13 18.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.59 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.93 -57.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.561 ' O ' HG22 ' A' ' 18' ' ' THR . 57.9 m -150.03 85.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.47 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.7 mm 46.56 35.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 44.99 68.15 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -145.74 -37.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.0 -57.23 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 mttt . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.39 -61.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 49.36 91.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.0 m -133.07 141.54 48.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.421 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 67.42 93.06 0.04 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.53 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.4 tt -139.72 59.02 12.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.03 -20.41 16.82 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -167.26 -46.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.645 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -173.34 143.06 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.645 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -17.75 96.67 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.4 Cg_endo -74.97 -73.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -102.68 -30.97 10.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.416 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 2.4 m -62.79 163.1 17.03 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.368 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 -56.36 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.8 . . . . 0.0 111.061 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.766 ' O ' HG22 ' A' ' 18' ' ' THR . 54.4 m -154.8 86.61 1.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' ARG . 19.5 mm 42.18 45.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 16' ' ' ILE . 10.4 mtt180 34.94 73.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.766 HG22 ' O ' ' A' ' 15' ' ' THR . 12.0 t -150.36 -36.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.51 -55.72 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -129.8 80.16 1.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.352 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.5 t -64.08 -38.09 81.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.341 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.643 ' O ' ' C ' ' A' ' 3' ' ' TYR . . . -114.49 -17.69 11.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 0.802 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.643 ' C ' ' O ' ' A' ' 2' ' ' ALA . 4.3 p90 12.45 90.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.7 m -112.15 73.26 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 121.46 96.84 1.46 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.519 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.5 tt -136.92 59.45 23.21 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 109.367 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.519 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 17.9 Cg_endo -75.1 -21.42 15.68 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.478 1.778 . . . . 0.0 110.969 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -166.83 -47.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.607 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.69 147.21 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.607 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -22.18 98.04 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.7 Cg_endo -74.95 -71.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.048 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -106.66 -28.2 10.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.406 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 2.9 m -63.1 162.43 23.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.08 -56.71 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.43 1.753 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.635 ' O ' HG22 ' A' ' 18' ' ' THR . 51.8 m -150.77 86.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 16' ' ' ILE . 9.2 mm 47.68 34.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.83 65.41 0.8 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 15' ' ' THR . 9.8 t -143.88 -35.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.87 -56.68 4.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -123.0 78.38 1.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.1 t -63.54 -37.72 80.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.22 -45.31 2.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 49.01 76.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 97.5 m -125.89 141.07 52.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.387 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.0 89.64 0.1 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.571 1.169 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.484 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 tt -140.12 61.28 17.07 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 109.334 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.484 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.93 -21.52 15.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.449 1.762 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -168.26 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.595 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.67 141.65 2.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.595 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -23.18 98.14 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.2 Cg_endo -74.94 -18.56 18.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -170.51 -43.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 33.4 m -43.67 143.26 1.66 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 13' ' ' VAL . 18.0 Cg_endo -75.0 97.79 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.615 ' O ' HG22 ' A' ' 18' ' ' THR . 19.6 m 55.56 79.13 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' THR . 3.9 mm 39.1 45.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER 37.08 70.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 15' ' ' THR . 5.6 t -148.83 -25.54 0.31 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.65 -63.42 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.257 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.5 tttt -98.09 -7.21 30.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.078 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 t 49.21 50.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.164 . . . . 0.0 110.307 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.53 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -163.05 -51.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.757 . . . . 0.0 109.35 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CG ' ' C ' ' A' ' 2' ' ' ALA . 0.4 OUTLIER 52.09 91.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m -110.97 137.28 48.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.412 1.07 . . . . 0.0 110.412 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 76.59 -85.87 0.95 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.674 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.4 tt 49.7 50.03 8.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -75.0 -21.12 16.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.53 1.805 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -169.29 -47.0 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.55 1.157 . . . . 0.0 109.358 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.615 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.59 142.81 3.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.615 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -21.86 98.37 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.0 Cg_endo -75.05 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.508 1.794 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -110.28 -28.6 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.426 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 3.4 m -59.73 162.45 9.15 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 -53.5 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.575 ' O ' HG22 ' A' ' 18' ' ' THR . 97.9 m -154.3 86.5 1.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.467 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.0 mm 42.13 41.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HB3' ' HB3' ' A' ' 2' ' ' ALA . 5.8 mmt180 39.52 65.06 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.352 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -140.91 -36.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.38 -55.23 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.399 1.062 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -121.67 79.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.0 t -66.72 -32.93 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.37 -34.16 10.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 44.5 88.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.4 m -135.77 81.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 119.05 90.34 1.3 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.561 1.163 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.3 tt -139.18 59.7 15.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.513 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.3 Cg_endo -74.97 -20.03 17.34 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.513 1.796 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -168.69 -48.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.585 1.178 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.616 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.81 145.06 3.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.616 ' C ' ' O ' ' A' ' 9' ' ' LYS . 20.9 pttt -21.61 97.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.2 Cg_endo -75.01 -72.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.443 1.76 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -107.56 -26.1 11.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -63.94 160.35 47.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -56.83 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.443 1.76 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.8 m -147.92 85.43 1.55 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.584 1.177 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.577 ' O ' HG22 ' A' ' 16' ' ' ILE . 36.9 mm 47.11 33.44 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.04 64.67 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 t -143.65 -37.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.65 -56.52 15.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' C ' HG22 ' A' ' 21' ' ' VAL . 94.7 mttt -130.06 -98.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.235 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.437 HG22 ' C ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -159.71 -58.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.3 35.16 25.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.258 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.673 ' CG ' ' O ' ' A' ' 3' ' ' TYR . 15.7 t80 175.84 53.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.0 m -106.35 77.22 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.448 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.64 98.05 2.5 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.538 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.6 tt -138.11 58.36 15.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.579 0.811 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.538 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.99 -19.1 18.2 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.53 1.805 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -168.31 -48.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.619 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -169.46 145.3 3.19 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.619 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -20.3 98.45 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 111.006 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -105.79 -30.67 9.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 m -64.44 160.45 51.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 109.276 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -56.06 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.016 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 18' ' ' THR . 62.8 m -145.71 83.42 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.424 ' O ' HG22 ' A' ' 16' ' ' ILE . 6.8 mm 51.92 20.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 63.87 23.82 13.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 15' ' ' THR . 3.2 t -96.52 -28.17 14.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.02 -46.84 19.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 tttt -116.07 73.92 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.3 t -64.73 -34.69 71.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.117 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.826 ' HA ' ' O ' ' A' ' 16' ' ' ILE . . . 68.19 115.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -173.11 -27.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.9 m -102.06 141.08 35.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.92 90.18 0.02 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.812 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.3 tt -149.64 40.73 0.22 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.549 0.793 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.812 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -74.98 -37.12 2.18 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.541 1.811 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -167.58 -32.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.527 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.66 141.94 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.4 pttt -29.87 101.36 0.15 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -69.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.572 1.827 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -107.46 -40.73 5.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 4.8 m -54.55 165.77 0.84 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.2 Cg_endo -75.06 -57.76 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.991 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -145.23 81.4 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.462 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.826 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 3.6 mm 51.67 20.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 66.84 33.6 5.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.416 1.073 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -107.53 -34.0 7.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.24 -54.4 17.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -128.41 104.55 7.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.06 134.95 29.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.47 -40.28 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.8 m-85 48.5 86.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.528 ' OG1' HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -33.28 -60.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.405 1.066 . . . . 0.0 110.329 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -174.1 -5.73 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.1 tt 36.26 57.15 3.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.331 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.5 Cg_endo -74.97 -15.97 20.54 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.549 1.815 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -169.0 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.687 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 178.03 140.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.687 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -10.42 90.41 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 Cg_endo -75.08 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.522 1.801 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -135.36 41.59 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.589 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 9.8 m -131.57 168.11 18.92 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.589 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -75.01 -57.42 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.535 1.808 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.561 ' O ' HG22 ' A' ' 18' ' ' THR . 58.1 m -150.06 85.91 1.42 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 110.397 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.7 mm 46.61 35.76 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 45.14 68.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -145.75 -37.62 0.26 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.94 -57.13 4.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -128.89 83.29 2.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.0 t -67.4 -36.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.825 ' HA ' ' O ' ' A' ' 16' ' ' ILE . . . 68.34 115.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -173.13 -27.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.946 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.4 m -102.08 141.12 35.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 61.9 90.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.813 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 1.3 tt -149.65 40.83 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 0.737 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.813 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.1 Cg_endo -75.05 -37.13 2.14 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.511 1.795 . . . . 0.0 110.959 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -167.54 -32.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.526 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -168.65 141.81 2.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.4 pttt -29.8 101.34 0.15 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -69.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -107.45 -40.74 5.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 4.8 m -54.55 165.74 0.85 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.646 1.216 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.1 Cg_endo -74.97 -57.8 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.53 1.805 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.8 m -145.23 81.47 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.423 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.825 ' O ' ' HA ' ' A' ' 2' ' ' ALA . 3.5 mm 51.69 20.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 66.8 33.6 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.2 t -107.61 -33.93 7.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.446 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.17 -54.49 17.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -128.4 104.52 7.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.04 134.93 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.398 1.061 . . . . 0.0 110.294 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.42 -40.25 6.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 0.739 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.457 ' O ' ' C ' ' A' ' 4' ' ' THR . 18.6 m-85 48.5 86.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.526 ' OG1' HG11 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -33.27 -60.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 6' ' ' LEU . . . -174.18 -5.78 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 2.0 tt 36.29 57.14 3.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.536 0.786 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.562 ' HD3' ' N ' ' A' ' 6' ' ' LEU . 18.2 Cg_endo -75.11 -15.81 20.29 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -169.09 -54.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.25 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.687 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 178.06 140.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 109.295 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.687 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -10.47 90.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' LYS . 18.3 Cg_endo -74.98 -59.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.414 1.744 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -135.42 41.69 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.59 ' HB ' ' HD2' ' A' ' 14' ' ' PRO . 9.9 m -131.68 168.13 18.88 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.241 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.59 ' HD2' ' HB ' ' A' ' 13' ' ' VAL . 18.3 Cg_endo -74.93 -57.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.561 ' O ' HG22 ' A' ' 18' ' ' THR . 57.9 m -150.03 85.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.47 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.7 mm 46.56 35.82 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 44.99 68.15 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 15' ' ' THR . 5.3 t -145.74 -37.55 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 110.42 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.0 -57.23 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -128.85 83.34 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 109.342 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.2 t -67.38 -36.02 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.959 . . . . . . . . 0 0 . 1 stop_ save_