data_1ywi_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 1ywi _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 ' 16' ' ' MET . . . . . 0.588 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.92 0.39 . . . . 0.0 111.301 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -132.03 162.32 31.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.851 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 21.8 p -126.67 141.45 51.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.973 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -104.4 122.18 44.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 111.502 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -144.07 154.33 43.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.32 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -102.6 106.86 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.927 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' ARG . 28.1 t -44.26 130.08 4.6 Favored Pre-proline 0 C--O 1.233 0.214 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.606 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.48 -37.64 42.42 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.102 2.535 . . . . 0.0 113.204 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.59 -27.93 63.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.976 0.417 . . . . 0.0 110.284 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.46 37.23 0.74 Allowed Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.805 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' SER . 8.5 mmm180 -127.5 167.19 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.619 0.247 . . . . 0.0 110.872 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.0 m -106.15 104.55 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.39 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -111.85 161.46 16.33 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.016 0.436 . . . . 0.0 111.534 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -130.1 147.63 51.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.811 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.493 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 32.9 t80 -120.23 122.56 41.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -79.16 114.17 17.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.673 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.588 HG23 ' HB3' ' A' ' 16' ' ' MET . 8.2 t -92.39 7.55 42.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.35 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 9.9 tp10 -91.73 -31.67 15.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.069 0.462 . . . . 0.0 110.227 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.8 m -120.8 -13.61 8.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.083 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 72.03 62.51 0.13 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.842 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -142.38 161.93 36.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.55 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.477 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 16.0 m -105.01 138.23 41.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.403 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.9 t -139.7 155.26 47.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.95 0.405 . . . . 0.0 111.84 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.459 ' HZ3' ' HB2' ' A' ' 26' ' ' ARG . 79.7 m95 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.915 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo . . . . . 0 C--O 1.233 0.242 0 N-CA-C 112.798 0.268 . . . . 0.0 112.798 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -77.95 148.53 25.07 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.85 2.367 . . . . 0.0 111.901 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.6 HD13 ' HD2' ' B' ' 9' ' ' PRO . 8.3 tp -78.56 146.19 69.05 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.739 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.6 ' HD2' HD13 ' B' ' 8' ' ' LEU . 4.3 Cg_exo -79.55 149.48 21.25 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.086 2.524 . . . . 0.0 111.684 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 9' ' ' PRO . 15.5 Cg_exo . . . . . 0 C--O 1.25 1.078 0 C-N-CA 122.167 1.911 . . . . 0.0 112.02 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.887 0.375 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -137.31 156.16 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.489 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 38.0 p -116.48 143.16 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.67 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -104.37 124.66 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.54 . . . . 0.0 111.662 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -144.71 168.13 20.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.914 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -117.59 114.33 23.26 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' ARG . 34.8 t -50.35 144.22 12.15 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.735 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 24.2 Cg_exo -62.68 -17.58 59.6 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.204 2.603 . . . . 0.0 112.918 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.5 13.18 7.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 110.133 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.88 38.48 19.57 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.018 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' SER . 6.7 mmm180 -124.02 167.11 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.672 0.272 . . . . 0.0 110.719 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.1 m -111.7 106.8 15.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.262 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -110.95 165.13 12.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.039 0.447 . . . . 0.0 111.506 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -131.69 156.08 46.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.489 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 30.4 t80 -128.05 126.94 42.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -80.07 117.47 20.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.373 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.4 t -86.95 -21.27 26.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.525 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -75.46 -48.79 21.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.665 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 m -88.98 -19.86 25.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.56 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mttp 67.94 66.33 0.36 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.719 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.11 165.71 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.667 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m -104.08 134.6 47.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.117 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 t -135.36 155.44 50.58 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.456 ' CD1' ' HB2' ' B' ' 9' ' ' PRO . 89.9 m95 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.213 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . 0.483 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.2 Cg_exo . . . . . 0 CA--C 1.53 0.316 0 N-CA-C 113.913 0.697 . . . . 0.0 113.913 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 6.1 Cg_exo -78.36 149.79 24.86 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.478 2.785 . . . . 0.0 111.639 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.561 HD13 ' HD2' ' B' ' 9' ' ' PRO . 6.0 tp -77.65 146.0 72.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.389 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.561 ' HD2' HD13 ' B' ' 8' ' ' LEU . 2.6 Cg_endo -79.82 149.4 20.54 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.923 2.416 . . . . 0.0 112.099 179.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.116 1.877 . . . . 0.0 112.248 179.514 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.593 ' HB2' ' HG3' ' A' ' 33' ' ' GLU . 47.5 mtt . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.107 0.479 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -127.8 165.06 20.84 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.475 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 65.6 p -128.93 138.0 51.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.304 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -104.67 129.66 52.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.839 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -147.59 162.26 39.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.387 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -118.31 111.04 18.23 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.582 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 23.0 t -52.84 143.99 28.08 Favored Pre-proline 0 C--O 1.235 0.301 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.847 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.43 -19.44 43.78 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.268 2.645 . . . . 0.0 112.879 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.2 11.61 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 110.262 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.57 33.23 39.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.737 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.582 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 23.5 mmt180 -117.28 165.84 12.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.643 0.259 . . . . 0.0 111.047 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.6 m -115.4 104.34 11.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.093 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -108.33 159.3 16.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.874 0.369 . . . . 0.0 111.198 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -128.43 152.91 47.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.475 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 20.6 t80 -130.86 124.68 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.715 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.469 HD21 HE22 ' A' ' 36' ' ' GLN . 45.0 t30 -85.85 132.74 34.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.425 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 16' ' ' MET . 2.1 t -94.75 -11.12 29.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.707 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.593 ' HG3' ' HB2' ' A' ' 16' ' ' MET . 27.9 mt-10 -70.11 -65.3 0.74 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.983 0.42 . . . . 0.0 110.254 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.44 ' HB ' ' OE1' ' A' ' 36' ' ' GLN . 88.8 m -86.22 -15.35 41.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.12 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt 69.07 77.26 0.23 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.118 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.469 HE22 HD21 ' A' ' 31' ' ' ASN . 19.5 pm0 -154.49 161.43 41.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 0.0 111.237 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.2 m -107.72 139.84 41.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.001 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 t -143.86 161.85 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 112.019 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.442 ' CH2' HD13 ' B' ' 8' ' ' LEU . 97.2 m95 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.063 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . 0.455 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.2 Cg_exo . . . . . 0 N--CA 1.463 -0.278 0 N-CA-C 112.75 0.25 . . . . 0.0 112.75 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.6 Cg_exo -77.81 149.21 26.09 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.85 2.367 . . . . 0.0 111.736 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.508 HD12 ' HD2' ' B' ' 9' ' ' PRO . 7.9 tp -78.18 146.4 70.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.508 ' HD2' HD12 ' B' ' 8' ' ' LEU . 5.8 Cg_exo -79.2 149.05 21.84 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.731 2.287 . . . . 0.0 111.885 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo . . . . . 0 C--O 1.249 1.068 0 C-N-CA 122.206 1.938 . . . . 0.0 112.294 179.562 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.489 ' O ' HG22 ' A' ' 32' ' ' THR . 23.5 mmt . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -136.54 145.91 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.059 0.456 . . . . 0.0 111.89 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -104.59 136.55 43.91 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.295 178.263 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -104.63 122.08 44.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 111.753 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -146.5 165.55 29.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.296 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -117.54 114.66 23.77 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 t -53.74 141.83 45.22 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.325 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.62 -17.48 49.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.128 2.552 . . . . 0.0 112.739 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.23 11.6 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.038 0.447 . . . . 0.0 110.204 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.06 39.03 13.61 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.418 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -125.01 166.23 16.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 0.0 110.956 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.9 m -113.5 104.34 12.17 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -109.07 165.07 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.035 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 18' ' ' THR . 75.4 m-85 -132.01 155.37 48.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.898 0.38 . . . . 0.0 111.717 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' B' ' 6' ' ' PRO . 20.9 t80 -117.38 112.14 20.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.628 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -72.02 126.4 29.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.511 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -92.53 -17.62 24.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 0.0 111.657 -179.598 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.92 -53.62 17.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.85 0.357 . . . . 0.0 110.71 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.7 m -93.69 -10.34 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 62.6 65.98 0.8 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -153.49 166.36 32.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.024 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.446 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 23.7 m -103.94 139.6 38.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.448 ' HG1' ' H ' ' A' ' 39' ' ' TRP . 8.8 t -142.85 164.87 28.91 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.358 0.599 . . . . 0.0 112.276 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.54 ' CH2' HD11 ' B' ' 8' ' ' LEU . 98.7 m95 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . 0.427 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 4.7 Cg_exo . . . . . 0 N--CA 1.462 -0.341 0 CA-C-O 120.492 0.122 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.09 149.19 28.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.495 2.13 . . . . 0.0 111.861 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.54 HD11 ' CH2' ' A' ' 39' ' ' TRP . 16.5 tp -77.88 146.66 72.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.785 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.446 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 6.3 Cg_exo -78.87 149.16 22.82 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.883 2.389 . . . . 0.0 112.098 179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.35 2.033 . . . . 0.0 112.24 179.433 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.582 ' HB3' HG22 ' A' ' 32' ' ' THR . 95.7 mmm . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.852 0.358 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -131.62 152.48 50.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.441 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.491 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 80.9 p -113.64 150.2 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.651 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -103.97 131.37 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.136 0.493 . . . . 0.0 112.095 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -150.04 166.62 29.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.955 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -123.44 115.75 22.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' ARG . 27.8 t -52.69 143.05 30.72 Favored Pre-proline 0 C--O 1.234 0.269 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.623 178.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.03 -22.65 64.85 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.223 2.615 . . . . 0.0 112.882 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.56 8.97 4.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 0.0 110.403 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.95 36.53 15.1 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.227 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 22' ' ' SER . 11.1 mmt180 -120.38 166.08 14.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.631 0.253 . . . . 0.0 110.742 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.0 m -110.49 104.96 13.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.278 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -110.75 163.44 13.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.79 0.329 . . . . 0.0 110.923 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -128.61 142.62 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.941 0.4 . . . . 0.0 111.554 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.491 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 26.7 t80 -112.46 108.51 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.281 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -64.69 121.92 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.529 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.582 HG22 ' HB3' ' A' ' 16' ' ' MET . 5.0 t -87.58 -7.83 57.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.073 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -83.12 -74.06 0.38 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.877 0.37 . . . . 0.0 110.251 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.0 m -69.36 -16.08 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.889 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 mttt 69.46 65.34 0.26 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.198 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -153.36 165.56 35.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.481 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.625 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 3.3 m -107.13 152.98 23.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.665 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.469 ' HG1' ' H ' ' A' ' 39' ' ' TRP . 13.9 t -148.15 162.76 38.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 0.0 111.53 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.511 ' CH2' HD13 ' B' ' 8' ' ' LEU . 94.6 m95 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.689 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo . . . . . 0 CA--C 1.53 0.288 0 CA-C-O 120.628 0.178 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . 0.422 ' O ' ' OG ' ' A' ' 37' ' ' SER . 91.4 Cg_endo -78.56 149.09 23.69 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.792 2.328 . . . . 0.0 113.326 -177.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.511 HD13 ' CH2' ' A' ' 39' ' ' TRP . 16.7 tp -78.37 147.36 72.09 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.966 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.625 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 2.5 Cg_endo -78.42 149.15 24.18 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.379 2.052 . . . . 0.0 111.941 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--O 1.249 1.061 0 C-N-CA 122.337 2.025 . . . . 0.0 112.162 179.662 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.506 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.969 0.414 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 89.9 m95 -133.54 140.9 47.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.323 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.505 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 20.8 p -110.83 142.31 43.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.934 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -104.39 130.7 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -147.74 155.41 41.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.624 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -110.79 108.06 17.78 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' ARG . 29.8 t -45.87 132.36 6.86 Favored Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.922 178.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.24 -36.28 66.88 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.964 2.443 . . . . 0.0 112.805 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.44 -27.81 57.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 110.246 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.33 34.79 0.92 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.923 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.475 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 14.5 mmm180 -126.79 166.27 17.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.614 0.245 . . . . 0.0 110.595 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.4 m -107.6 104.3 13.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.244 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.41 ' CD1' ' HD3' ' B' ' 9' ' ' PRO . 6.7 p90 -106.49 163.28 13.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.935 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -133.49 154.56 50.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.484 . . . . 0.0 111.232 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.505 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 31.2 t80 -123.16 114.57 20.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.478 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.403 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 66.4 t30 -77.61 119.63 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.506 HG23 ' HB3' ' A' ' 16' ' ' MET . 4.9 t -87.42 -14.21 41.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -73.09 -54.52 8.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.895 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.3 m -86.86 -22.32 25.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.03 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt 72.71 65.19 0.11 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.485 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -160.21 165.3 31.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 m -104.9 142.74 34.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.1 t -153.59 165.09 37.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.255 0.55 . . . . 0.0 111.989 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.475 ' HZ3' ' HB2' ' A' ' 26' ' ' ARG . 96.4 m95 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.901 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 CA--C 1.529 0.261 0 N-CA-C 113.654 0.598 . . . . 0.0 113.654 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.28 150.56 25.76 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.181 2.587 . . . . 0.0 111.581 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.561 HD11 ' HD2' ' B' ' 9' ' ' PRO . 7.1 tp -77.09 146.34 74.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.514 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.561 ' HD2' HD11 ' B' ' 8' ' ' LEU . 4.1 Cg_exo -79.05 149.18 22.29 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.129 2.552 . . . . 0.0 112.259 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo . . . . . 0 C--O 1.25 1.075 0 C-N-CA 122.221 1.947 . . . . 0.0 112.174 179.511 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.568 ' HB3' HG22 ' A' ' 32' ' ' THR . 53.7 mmm . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -133.12 160.5 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.04 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.543 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 39.8 p -127.26 146.69 50.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.429 177.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -104.16 128.52 51.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -147.68 165.2 31.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.882 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -116.55 116.6 27.91 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.471 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 40.7 t -53.31 144.68 29.51 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.566 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.77 -17.46 50.25 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.905 2.404 . . . . 0.0 112.558 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.09 13.2 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.077 0.465 . . . . 0.0 109.915 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.01 36.05 36.99 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.184 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.471 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 18.3 mmt180 -118.07 166.12 12.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.651 0.262 . . . . 0.0 110.737 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -109.31 104.39 13.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.163 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -110.26 165.0 12.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.902 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -132.4 148.71 52.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.35 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.543 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 32.8 t80 -112.33 124.59 52.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.288 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.519 HD21 ' H ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -85.0 110.38 18.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.04 179.43 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.568 HG22 ' HB3' ' A' ' 16' ' ' MET . 4.7 t -82.84 -12.49 57.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.707 0.289 . . . . 0.0 111.315 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.519 ' H ' HD21 ' A' ' 31' ' ' ASN . 12.0 tp10 -79.99 -63.03 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.349 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 m -76.52 -14.86 59.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.359 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt 66.28 67.74 0.45 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.305 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -159.93 165.52 31.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.816 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.9 m -104.4 136.17 44.47 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 t -138.45 161.73 36.27 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.574 0.702 . . . . 0.0 112.815 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.534 ' CH2' HD11 ' B' ' 8' ' ' LEU . 96.8 m95 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.35 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.462 -0.346 0 CA-C-O 120.71 0.213 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -77.78 149.55 26.5 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.839 2.359 . . . . 0.0 112.497 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.534 HD11 ' CH2' ' A' ' 39' ' ' TRP . 14.0 tp -77.88 146.32 71.89 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.411 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -79.32 149.34 21.75 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.749 2.299 . . . . 0.0 111.67 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--O 1.25 1.083 0 C-N-CA 122.181 1.921 . . . . 0.0 112.157 179.547 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.584 ' HB3' HG23 ' A' ' 32' ' ' THR . 63.0 mtt . . . . . 0 C--O 1.234 0.261 0 CA-C-O 121.356 0.598 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.446 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 80.0 m95 -127.95 155.83 43.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.39 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.495 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 81.6 p -120.65 141.48 50.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.206 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.8 125.62 51.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 111.684 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -143.7 168.44 19.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.346 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -116.76 110.66 18.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.411 ' HG ' ' HD2' ' A' ' 23' ' ' PRO . 43.7 t -50.31 136.08 23.25 Favored Pre-proline 0 C--O 1.235 0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.713 178.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.411 ' HD2' ' HG ' ' A' ' 22' ' ' SER . 85.2 Cg_exo -46.02 -47.45 14.39 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.048 2.499 . . . . 0.0 112.871 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.63 -30.47 8.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.048 0.452 . . . . 0.0 110.551 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.69 41.89 0.55 Allowed Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.017 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.502 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 19.1 mmt180 -125.85 165.78 18.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.758 0.313 . . . . 0.0 111.075 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.3 m -105.49 104.45 14.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.961 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -112.08 165.14 12.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.22 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -130.52 149.43 52.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.997 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.495 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 18.4 t80 -122.64 123.55 41.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 3.3 t-20 -80.69 125.35 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.584 HG23 ' HB3' ' A' ' 16' ' ' MET . 5.1 t -95.34 -1.48 51.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.654 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -65.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.086 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.427 HG21 ' OD1' ' A' ' 31' ' ' ASN . 10.2 t -95.34 -8.15 36.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.445 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm 71.03 78.64 0.17 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.244 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' HB2' HE21 ' A' ' 36' ' ' GLN . 0.0 OUTLIER -155.16 162.03 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 179.776 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.7 m -104.85 133.62 49.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.765 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.403 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 7.8 t -132.9 159.5 39.73 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.192 0.52 . . . . 0.0 111.879 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.54 ' CH2' HD12 ' B' ' 8' ' ' LEU . 79.6 m95 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.655 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . 0.429 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.1 Cg_exo . . . . . 0 N--CA 1.464 -0.246 0 CA-C-O 120.581 0.159 . . . . 0.0 112.188 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.98 149.16 25.52 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.524 2.149 . . . . 0.0 112.155 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.54 HD12 ' CH2' ' A' ' 39' ' ' TRP . 21.1 tp -77.85 146.45 72.28 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.553 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' THR . 4.3 Cg_exo -79.25 149.29 21.87 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.801 2.334 . . . . 0.0 111.842 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.185 1.924 . . . . 0.0 112.129 179.614 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.524 ' HB3' HG23 ' A' ' 32' ' ' THR . 1.6 mpt? . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 111.66 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -138.41 158.9 43.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.226 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.519 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 36.3 p -119.49 141.72 48.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.458 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -104.06 127.68 51.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 0.0 112.06 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -147.16 169.87 18.4 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.214 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -119.92 108.49 14.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 26' ' ' ARG . 45.3 t -49.15 132.47 16.17 Favored Pre-proline 0 C--O 1.234 0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.57 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -50.92 -35.86 51.1 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.08 2.52 . . . . 0.0 112.688 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.44 -31.36 55.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.047 0.451 . . . . 0.0 109.944 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.04 33.24 0.8 Allowed Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.333 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.496 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 10.1 mmt180 -127.45 165.77 19.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.743 0.306 . . . . 0.0 111.07 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.0 m -105.58 108.22 19.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.973 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -109.68 165.26 11.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.942 0.401 . . . . 0.0 111.505 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -130.76 137.97 49.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.519 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 30.6 t80 -108.26 117.44 34.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.34 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -71.79 121.53 19.1 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.524 HG23 ' HB3' ' A' ' 16' ' ' MET . 7.5 t -93.86 -5.81 47.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.963 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.63 -66.69 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.155 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.45 ' HB ' HE21 ' A' ' 36' ' ' GLN . 18.3 m -79.15 -16.4 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 71.55 68.68 0.16 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.928 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.45 HE21 ' HB ' ' A' ' 34' ' ' THR . 22.9 pt20 -156.44 166.59 32.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.676 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 m -103.27 137.08 41.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.255 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 13.9 t -140.03 159.22 42.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.289 0.566 . . . . 0.0 112.224 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.522 ' CH2' HD13 ' B' ' 8' ' ' LEU . 94.7 m95 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.453 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 5.6 Cg_exo . . . . . 0 CA--C 1.529 0.232 0 CA-C-O 120.375 0.073 . . . . 0.0 111.944 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 6.3 Cg_exo -77.03 149.16 28.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.867 2.378 . . . . 0.0 112.235 -178.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.522 HD13 ' CH2' ' A' ' 39' ' ' TRP . 17.5 tp -78.08 146.39 71.28 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.802 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.41 ' HG3' ' N ' ' A' ' 38' ' ' THR . 6.3 Cg_exo -79.19 149.4 22.1 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.068 2.512 . . . . 0.0 112.2 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 122.226 1.95 . . . . 0.0 112.063 179.455 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.424 ' HB3' HG22 ' A' ' 32' ' ' THR . 25.0 mmt . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.423 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 90.0 m95 -141.85 149.08 39.83 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.611 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.565 ' HG1' ' HB3' ' A' ' 30' ' ' TYR . 43.2 p -119.26 148.16 43.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.657 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.18 131.16 51.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.18 0.514 . . . . 0.0 112.244 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -149.84 170.7 18.16 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.972 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -127.4 118.19 23.62 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.7 t -53.59 141.88 43.43 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.589 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.18 -17.39 38.68 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.239 2.626 . . . . 0.0 112.821 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -85.09 14.2 5.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.06 0.457 . . . . 0.0 110.18 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.84 32.57 40.11 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.18 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 6.8 mtt180 -115.51 165.63 12.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.739 0.304 . . . . 0.0 110.756 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 m -111.13 110.01 20.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.278 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -118.92 162.48 18.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 111.091 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -130.79 152.52 50.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.18 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.565 ' HB3' ' HG1' ' A' ' 18' ' ' THR . 31.5 t80 -114.78 119.18 35.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.36 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 59.8 t30 -80.13 122.74 27.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.656 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.424 HG22 ' HB3' ' A' ' 16' ' ' MET . 8.6 t -94.86 -11.25 29.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.94 -60.4 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.171 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.7 m -88.61 -17.48 30.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.157 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.3 mttm 72.27 67.46 0.13 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.994 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -154.83 165.36 36.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.609 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.485 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 19.4 m -104.64 139.69 39.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.225 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.44 165.5 27.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.214 0.53 . . . . 0.0 112.123 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CH2' HD12 ' B' ' 8' ' ' LEU . 99.6 m95 . . . . . 0 N--CA 1.463 0.205 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.881 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . 0.434 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 3.8 Cg_exo . . . . . 0 N--CA 1.463 -0.309 0 CA-C-O 120.606 0.169 . . . . 0.0 112.393 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.04 149.18 28.42 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.559 2.173 . . . . 0.0 111.882 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.539 HD12 ' CH2' ' A' ' 39' ' ' TRP . 16.7 tp -77.74 146.74 73.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.073 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.485 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 5.8 Cg_exo -78.81 149.11 22.96 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.254 2.636 . . . . 0.0 112.265 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo . . . . . 0 C--O 1.25 1.12 0 C-N-CA 122.305 2.003 . . . . 0.0 112.313 179.207 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.605 ' HB3' HG21 ' A' ' 32' ' ' THR . 23.8 mmt . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.811 0.339 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -130.59 162.07 30.14 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.487 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 44.2 p -135.12 144.08 46.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.304 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -104.5 122.29 45.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.147 0.498 . . . . 0.0 111.854 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -141.99 164.8 29.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.871 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -116.53 117.35 29.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.626 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 32.2 t -53.18 144.12 30.58 Favored Pre-proline 0 C--O 1.234 0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.024 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 48.6 Cg_exo -55.61 -40.07 87.49 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.244 2.629 . . . . 0.0 113.32 -178.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' HB3' ' NE ' ' A' ' 26' ' ' ARG . 16.4 t70 -59.9 -15.43 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.754 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.51 41.11 1.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.329 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.626 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 0.1 OUTLIER -122.88 166.4 15.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 0.0 111.297 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -112.14 104.2 12.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.327 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -110.23 165.63 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.72 138.35 48.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.273 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.487 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 39.5 t80 -107.81 127.5 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.324 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 34' ' ' THR . 53.2 t30 -93.75 114.41 26.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.605 HG21 ' HB3' ' A' ' 16' ' ' MET . 7.4 t -83.69 -4.91 59.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.516 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 9.0 tp10 -79.2 -58.32 3.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.982 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.446 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 46.3 m -87.27 -15.14 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.981 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.498 ' HB3' ' HZ1' ' A' ' 35' ' ' LYS . 1.3 mmmp? 68.05 60.43 0.42 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.425 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -150.57 165.17 34.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.936 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 m -109.6 139.25 44.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.892 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.7 t -140.36 162.66 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.167 0.508 . . . . 0.0 112.011 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.563 ' CH2' HD11 ' B' ' 8' ' ' LEU . 98.8 m95 . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.377 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 6.5 Cg_exo . . . . . 0 N--CA 1.463 -0.302 0 CA-C-O 120.514 0.131 . . . . 0.0 111.839 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 6.0 Cg_exo -76.94 149.02 28.61 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.817 2.345 . . . . 0.0 112.284 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.563 HD11 ' CH2' ' A' ' 39' ' ' TRP . 17.5 tp -78.33 146.99 71.6 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -78.58 149.03 23.6 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.662 2.241 . . . . 0.0 111.793 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.228 1.952 . . . . 0.0 112.384 179.713 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.427 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.185 0.517 . . . . 0.0 111.549 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -131.03 145.06 51.91 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.421 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.497 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 77.2 p -107.24 145.02 33.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.275 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -104.3 126.7 51.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.994 0.426 . . . . 0.0 111.731 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -143.96 160.67 40.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.126 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' NZ ' ' HA2' ' A' ' 25' ' ' GLY . 63.6 tttm -112.27 105.34 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' ARG . 47.3 t -47.65 140.38 8.03 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -60.35 -18.31 52.2 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.271 2.647 . . . . 0.0 112.871 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.13 15.4 2.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.979 0.418 . . . . 0.0 110.302 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.467 ' HA2' ' NZ ' ' A' ' 21' ' ' LYS . . . 76.6 33.72 46.57 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.04 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.43 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -122.71 165.92 15.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.297 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.4 m -111.6 106.71 15.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.273 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -111.46 163.08 14.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 111.089 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -128.98 152.47 48.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.497 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 21.4 t80 -125.1 115.26 20.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.763 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -72.94 126.91 31.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.124 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.427 HG22 ' HB3' ' A' ' 16' ' ' MET . 3.3 t -86.1 -33.63 20.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.747 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.05 -61.77 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.556 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.0 m -71.78 -19.92 61.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.285 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.7 mttp 61.14 71.28 0.57 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.572 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.411 HE21 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -159.13 165.07 34.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.005 -179.807 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -104.63 131.37 52.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.753 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.404 ' HB ' ' OE1' ' A' ' 36' ' ' GLN . 11.7 t -131.37 157.54 43.13 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.105 0.478 . . . . 0.0 111.913 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.461 ' CH2' HD11 ' B' ' 8' ' ' LEU . 87.6 m95 . . . . . 0 N--CA 1.463 0.185 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.616 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 CA--C 1.529 0.265 0 N-CA-C 111.581 -0.199 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.98 149.02 25.4 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.575 2.184 . . . . 0.0 113.094 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.548 HD13 ' HD2' ' B' ' 9' ' ' PRO . 8.7 tp -78.32 147.07 71.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.23 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.548 ' HD2' HD13 ' B' ' 8' ' ' LEU . 5.8 Cg_exo -78.59 149.07 23.6 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.735 2.29 . . . . 0.0 112.025 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 9' ' ' PRO . 3.3 Cg_exo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.535 2.157 . . . . 0.0 111.974 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.572 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.241 0.543 . . . . 0.0 111.256 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.7 m95 -132.07 155.32 48.3 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.741 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.484 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 75.0 p -117.58 143.18 46.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.105 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -104.45 127.35 52.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.988 0.423 . . . . 0.0 111.789 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -146.96 166.6 26.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.28 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.514 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 3.4 ttpm? -114.59 108.26 16.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.43 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 39.5 t -49.95 139.96 16.62 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.428 178.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.98 -19.56 56.11 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.287 2.658 . . . . 0.0 112.815 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.33 9.75 5.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.951 0.405 . . . . 0.0 110.384 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.41 34.63 22.48 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.162 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.43 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 15.0 mmt180 -122.76 165.99 15.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.0 m -109.53 104.8 13.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.583 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -110.0 163.14 13.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.267 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -131.81 142.41 49.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.943 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.484 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 27.8 t80 -114.72 119.36 36.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.52 125.93 29.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.248 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.572 HG22 ' HB3' ' A' ' 16' ' ' MET . 3.7 t -90.46 -9.37 47.65 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.3 -65.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.097 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.6 m -80.75 -18.24 48.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.075 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 72.75 64.17 0.11 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.569 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -147.53 165.55 30.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.526 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.7 143.34 32.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.476 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.481 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 15.1 t -143.59 159.69 42.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.04 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.568 ' CH2' HD13 ' B' ' 8' ' ' LEU . 99.3 m95 . . . . . 0 N--CA 1.462 0.17 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.076 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . 0.44 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.6 Cg_exo . . . . . 0 N--CA 1.463 -0.319 0 N-CA-C 113.082 0.378 . . . . 0.0 113.082 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.0 Cg_exo -78.01 149.29 25.54 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.044 2.496 . . . . 0.0 111.484 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.568 HD13 ' CH2' ' A' ' 39' ' ' TRP . 17.0 tp -77.84 146.69 72.78 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.564 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.481 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.4 Cg_exo -78.72 149.3 23.37 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.872 2.381 . . . . 0.0 112.162 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.322 2.015 . . . . 0.0 112.108 179.563 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.635 ' HB3' HG21 ' A' ' 32' ' ' THR . 70.1 mtp . . . . . 0 C--O 1.233 0.215 0 CA-C-O 121.033 0.444 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -132.21 163.6 28.21 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.458 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 2.2 p -130.91 145.67 52.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.954 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -104.62 125.43 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.145 0.497 . . . . 0.0 111.687 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -148.5 172.76 13.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.326 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.592 ' HZ1' ' HB2' ' A' ' 21' ' ' LYS . 9.6 mtmp? -131.45 118.24 19.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 t -53.8 141.52 46.76 Favored Pre-proline 0 C--O 1.235 0.302 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.723 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.34 -19.14 62.84 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.1 2.533 . . . . 0.0 112.476 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.83 4.5 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.421 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.54 31.71 11.16 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.471 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -120.01 166.1 13.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.752 0.311 . . . . 0.0 110.784 -179.632 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.9 m -111.34 110.0 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.082 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -116.29 163.84 15.41 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.765 0.316 . . . . 0.0 111.333 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -133.21 152.21 51.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.458 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 22.4 t80 -111.01 129.54 55.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.786 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -93.1 106.52 18.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.413 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.635 HG21 ' HB3' ' A' ' 16' ' ' MET . 10.0 t -86.26 6.15 31.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.755 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 36.1 tt0 -91.32 -67.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.1 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.9 m -78.04 -15.73 58.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.933 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 73.92 70.89 0.11 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.341 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -164.0 165.74 22.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.597 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.47 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 30.2 m -103.73 138.29 40.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 t -131.84 159.93 37.11 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.512 ' CH2' HD11 ' B' ' 8' ' ' LEU . 89.5 m95 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.476 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 N--CA 1.461 -0.385 0 CA-C-O 120.687 0.203 . . . . 0.0 112.282 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.84 149.37 26.14 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.512 HD11 ' CH2' ' A' ' 39' ' ' TRP . 15.6 tp -77.86 147.01 73.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.622 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.47 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 4.7 Cg_exo -78.74 149.26 23.27 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.787 2.324 . . . . 0.0 112.017 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo . . . . . 0 C--O 1.248 1.002 0 C-N-CA 122.276 1.984 . . . . 0.0 112.224 179.642 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.619 ' HB3' HG23 ' A' ' 32' ' ' THR . 24.4 mmt . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -130.13 155.01 46.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.366 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 73.2 p -129.15 141.07 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.923 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -104.64 128.08 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 112.12 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -147.5 172.57 13.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.902 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.27 130.61 52.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.711 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 41.2 t -60.68 147.88 83.12 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.41 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -48.81 -54.95 4.62 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.946 2.43 . . . . 0.0 113.335 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -50.05 -23.53 2.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.927 0.394 . . . . 0.0 111.074 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.5 42.47 0.81 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.474 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.711 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -114.08 165.79 12.27 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.556 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.1 m -105.59 104.03 13.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -113.12 163.79 14.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.879 0.371 . . . . 0.0 110.702 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -129.5 155.34 45.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.473 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 26.9 t80 -126.99 121.99 33.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.212 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -85.25 116.75 23.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.619 HG23 ' HB3' ' A' ' 16' ' ' MET . 6.4 t -86.18 -3.77 59.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.621 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -85.06 -50.29 7.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.042 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.0 m -91.25 -17.51 25.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.139 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 70.41 65.35 0.2 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.841 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -160.02 165.13 32.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.59 147.45 27.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.653 178.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.481 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 12.6 t -142.56 157.18 44.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 112.11 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.496 ' CH2' HD12 ' B' ' 8' ' ' LEU . 90.4 m95 . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.282 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . 0.428 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.7 Cg_exo . . . . . 0 C--O 1.234 0.298 0 N-CA-C 112.528 0.165 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.47 149.17 24.04 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.599 2.199 . . . . 0.0 112.235 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.496 HD12 ' CH2' ' A' ' 39' ' ' TRP . 14.6 tp -78.0 147.1 72.99 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.125 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.481 ' HG3' ' N ' ' A' ' 38' ' ' THR . 2.5 Cg_endo -78.85 149.37 23.02 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.598 2.199 . . . . 0.0 112.025 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.206 1.937 . . . . 0.0 112.21 179.625 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.441 ' N ' ' HE1' ' A' ' 17' ' ' TRP . 79.4 p . . . . . 0 N--CA 1.461 0.093 0 CA-C-O 120.884 0.373 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.588 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.1 OUTLIER 59.28 85.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.301 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.441 ' HE1' ' N ' ' A' ' 15' ' ' SER . 36.4 m95 -132.03 162.32 31.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 21.8 p -126.67 141.45 51.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.973 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -104.4 122.18 44.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 111.502 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -144.07 154.33 43.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.32 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -102.6 106.86 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.927 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' ARG . 28.1 t -44.26 130.08 4.6 Favored Pre-proline 0 C--O 1.233 0.214 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.606 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.48 -37.64 42.42 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.102 2.535 . . . . 0.0 113.204 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.59 -27.93 63.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.976 0.417 . . . . 0.0 110.284 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.46 37.23 0.74 Allowed Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.805 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' SER . 8.5 mmm180 -127.5 167.19 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.619 0.247 . . . . 0.0 110.872 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.0 m -106.15 104.55 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.39 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -111.85 161.46 16.33 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.016 0.436 . . . . 0.0 111.534 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -130.1 147.63 51.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.811 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.493 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 32.9 t80 -120.23 122.56 41.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -79.16 114.17 17.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.673 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.588 HG23 ' HB3' ' A' ' 16' ' ' MET . 8.2 t -92.39 7.55 42.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.35 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.528 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 9.9 tp10 -91.73 -31.67 15.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.069 0.462 . . . . 0.0 110.227 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.8 m -120.8 -13.61 8.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.083 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 72.03 62.51 0.13 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.842 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -142.38 161.93 36.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.55 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.477 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 16.0 m -105.01 138.23 41.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.403 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.9 t -139.7 155.26 47.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.95 0.405 . . . . 0.0 111.84 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.459 ' HZ3' ' HB2' ' A' ' 26' ' ' ARG . 79.7 m95 -104.67 142.64 34.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.915 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 62.83 147.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.61 132.18 27.19 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.764 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.348 0.54 0 C-N-CA 122.545 2.163 . . . . 0.0 112.822 -179.739 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.463 -0.307 0 CA-C-O 120.498 0.124 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -78.22 148.89 24.58 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.525 2.15 . . . . 0.0 112.798 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -77.95 148.53 25.07 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.85 2.367 . . . . 0.0 111.901 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.6 HD13 ' HD2' ' B' ' 9' ' ' PRO . 8.3 tp -78.56 146.19 69.05 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.739 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.6 ' HD2' HD13 ' B' ' 8' ' ' LEU . 4.3 Cg_exo -79.55 149.48 21.25 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.086 2.524 . . . . 0.0 111.684 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' ' 9' ' ' PRO . 15.5 Cg_exo . . . . . 0 C--O 1.25 1.078 0 C-N-CA 122.167 1.911 . . . . 0.0 112.02 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 121.058 0.456 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.9 mmt -122.0 59.32 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.355 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -137.31 156.16 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.489 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 38.0 p -116.48 143.16 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.67 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -104.37 124.66 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.54 . . . . 0.0 111.662 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -144.71 168.13 20.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.914 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -117.59 114.33 23.26 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 26' ' ' ARG . 34.8 t -50.35 144.22 12.15 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.735 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 24.2 Cg_exo -62.68 -17.58 59.6 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.204 2.603 . . . . 0.0 112.918 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.5 13.18 7.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 110.133 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.88 38.48 19.57 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.018 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' SER . 6.7 mmm180 -124.02 167.11 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.672 0.272 . . . . 0.0 110.719 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.1 m -111.7 106.8 15.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.262 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -110.95 165.13 12.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.039 0.447 . . . . 0.0 111.506 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -131.69 156.08 46.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.489 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 30.4 t80 -128.05 126.94 42.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -80.07 117.47 20.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.373 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.4 t -86.95 -21.27 26.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.525 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -75.46 -48.79 21.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.665 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 m -88.98 -19.86 25.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.56 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mttp 67.94 66.33 0.36 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.719 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.11 165.71 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.667 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m -104.08 134.6 47.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.117 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 t -135.36 155.44 50.58 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.456 ' CD1' ' HB2' ' B' ' 9' ' ' PRO . 89.9 m95 -104.58 163.1 12.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.213 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 64.16 137.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.069 0.461 . . . . 0.0 111.422 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -67.33 135.23 93.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.946 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo . . . . . 0 C--N 1.349 0.601 0 C-N-CA 122.482 2.121 . . . . 0.0 112.314 179.811 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 73.5 Cg_endo . . . . . 0 N--CA 1.465 -0.2 0 CA-C-O 120.648 0.187 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.483 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.2 Cg_exo -78.14 149.14 25.01 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.141 2.561 . . . . 0.0 113.913 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 6.1 Cg_exo -78.36 149.79 24.86 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.478 2.785 . . . . 0.0 111.639 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.561 HD13 ' HD2' ' B' ' 9' ' ' PRO . 6.0 tp -77.65 146.0 72.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.389 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.561 ' HD2' HD13 ' B' ' 8' ' ' LEU . 2.6 Cg_endo -79.82 149.4 20.54 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.923 2.416 . . . . 0.0 112.099 179.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.116 1.877 . . . . 0.0 112.248 179.514 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.884 0.373 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.593 ' HB2' ' HG3' ' A' ' 33' ' ' GLU . 47.5 mtt 62.67 67.89 0.68 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.071 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -127.8 165.06 20.84 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.475 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 65.6 p -128.93 138.0 51.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.304 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -104.67 129.66 52.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.839 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -147.59 162.26 39.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.387 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -118.31 111.04 18.23 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.582 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 23.0 t -52.84 143.99 28.08 Favored Pre-proline 0 C--O 1.235 0.301 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.847 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.43 -19.44 43.78 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.268 2.645 . . . . 0.0 112.879 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.2 11.61 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 110.262 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.57 33.23 39.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.737 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.582 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 23.5 mmt180 -117.28 165.84 12.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.643 0.259 . . . . 0.0 111.047 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.6 m -115.4 104.34 11.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.093 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -108.33 159.3 16.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.874 0.369 . . . . 0.0 111.198 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -128.43 152.91 47.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.475 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 20.6 t80 -130.86 124.68 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.715 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.469 HD21 HE22 ' A' ' 36' ' ' GLN . 45.0 t30 -85.85 132.74 34.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.425 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 16' ' ' MET . 2.1 t -94.75 -11.12 29.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.707 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.593 ' HG3' ' HB2' ' A' ' 16' ' ' MET . 27.9 mt-10 -70.11 -65.3 0.74 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.983 0.42 . . . . 0.0 110.254 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.44 ' HB ' ' OE1' ' A' ' 36' ' ' GLN . 88.8 m -86.22 -15.35 41.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.12 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt 69.07 77.26 0.23 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.118 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.469 HE22 HD21 ' A' ' 31' ' ' ASN . 19.5 pm0 -154.49 161.43 41.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 0.0 111.237 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.2 m -107.72 139.84 41.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.001 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 t -143.86 161.85 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 112.019 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.442 ' CH2' HD13 ' B' ' 8' ' ' LEU . 97.2 m95 -104.09 164.86 11.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.063 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 65.6 138.0 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.124 0.488 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -66.76 140.54 96.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.263 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo . . . . . 0 N--CA 1.459 -0.534 0 C-N-CA 122.821 2.347 . . . . 0.0 112.164 179.628 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 72.5 Cg_endo . . . . . 0 N--CA 1.463 -0.289 0 CA-C-O 120.684 0.202 . . . . 0.0 112.618 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.455 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.2 Cg_exo -78.33 149.95 25.09 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.298 2.666 . . . . 0.0 112.75 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.6 Cg_exo -77.81 149.21 26.09 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.85 2.367 . . . . 0.0 111.736 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.508 HD12 ' HD2' ' B' ' 9' ' ' PRO . 7.9 tp -78.18 146.4 70.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.508 ' HD2' HD12 ' B' ' 8' ' ' LEU . 5.8 Cg_exo -79.2 149.05 21.84 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.731 2.287 . . . . 0.0 111.885 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo . . . . . 0 C--O 1.249 1.068 0 C-N-CA 122.206 1.938 . . . . 0.0 112.294 179.562 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 64.1 m . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.68 0.276 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.489 ' O ' HG22 ' A' ' 32' ' ' THR . 23.5 mmt 58.19 96.4 0.02 OUTLIER 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.406 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -136.54 145.91 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.059 0.456 . . . . 0.0 111.89 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -104.59 136.55 43.91 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.295 178.263 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -104.63 122.08 44.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 111.753 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -146.5 165.55 29.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.296 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -117.54 114.66 23.77 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 t -53.74 141.83 45.22 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.325 178.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.62 -17.48 49.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.128 2.552 . . . . 0.0 112.739 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.23 11.6 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.038 0.447 . . . . 0.0 110.204 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.06 39.03 13.61 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.418 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -125.01 166.23 16.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 0.0 110.956 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.9 m -113.5 104.34 12.17 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -109.07 165.07 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.035 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 18' ' ' THR . 75.4 m-85 -132.01 155.37 48.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.898 0.38 . . . . 0.0 111.717 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' B' ' 6' ' ' PRO . 20.9 t80 -117.38 112.14 20.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.628 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -72.02 126.4 29.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.511 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -92.53 -17.62 24.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 0.0 111.657 -179.598 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.92 -53.62 17.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.85 0.357 . . . . 0.0 110.71 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.7 m -93.69 -10.34 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 62.6 65.98 0.8 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -153.49 166.36 32.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.024 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.446 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 23.7 m -103.94 139.6 38.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.448 ' HG1' ' H ' ' A' ' 39' ' ' TRP . 8.8 t -142.85 164.87 28.91 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.358 0.599 . . . . 0.0 112.276 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.54 ' CH2' HD11 ' B' ' 8' ' ' LEU . 98.7 m95 -103.57 165.24 11.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 64.47 136.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.215 0.531 . . . . 0.0 111.572 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.537 ' HZ3' ' HB3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -72.63 130.32 85.77 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.88 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo . . . . . 0 C--N 1.349 0.567 0 C-N-CA 122.383 2.056 . . . . 0.0 112.279 179.768 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 4.6 Cg_exo . . . . . 0 CA--C 1.53 0.278 0 N-CA-C 112.771 0.258 . . . . 0.0 112.771 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 5' ' ' PRO . 4.7 Cg_exo -77.78 151.08 27.84 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.211 2.607 . . . . 0.0 111.952 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.09 149.19 28.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.495 2.13 . . . . 0.0 111.861 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.54 HD11 ' CH2' ' A' ' 39' ' ' TRP . 16.5 tp -77.88 146.66 72.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.785 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.446 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 6.3 Cg_exo -78.87 149.16 22.82 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.883 2.389 . . . . 0.0 112.098 179.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.35 2.033 . . . . 0.0 112.24 179.433 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.151 0.5 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.582 ' HB3' HG22 ' A' ' 32' ' ' THR . 95.7 mmm -143.11 71.19 1.33 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.327 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -131.62 152.48 50.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.441 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.491 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 80.9 p -113.64 150.2 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.651 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -103.97 131.37 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.136 0.493 . . . . 0.0 112.095 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -150.04 166.62 29.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.955 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -123.44 115.75 22.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' ARG . 27.8 t -52.69 143.05 30.72 Favored Pre-proline 0 C--O 1.234 0.269 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.623 178.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.03 -22.65 64.85 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.223 2.615 . . . . 0.0 112.882 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.56 8.97 4.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 0.0 110.403 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.95 36.53 15.1 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.227 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 22' ' ' SER . 11.1 mmt180 -120.38 166.08 14.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.631 0.253 . . . . 0.0 110.742 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.0 m -110.49 104.96 13.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.278 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -110.75 163.44 13.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.79 0.329 . . . . 0.0 110.923 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -128.61 142.62 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.941 0.4 . . . . 0.0 111.554 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.491 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 26.7 t80 -112.46 108.51 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.281 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -64.69 121.92 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.529 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.582 HG22 ' HB3' ' A' ' 16' ' ' MET . 5.0 t -87.58 -7.83 57.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.073 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -83.12 -74.06 0.38 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.877 0.37 . . . . 0.0 110.251 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.0 m -69.36 -16.08 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.889 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 mttt 69.46 65.34 0.26 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.198 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -153.36 165.56 35.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.481 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.625 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 3.3 m -107.13 152.98 23.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.665 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.469 ' HG1' ' H ' ' A' ' 39' ' ' TRP . 13.9 t -148.15 162.76 38.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 0.0 111.53 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.511 ' CH2' HD13 ' B' ' 8' ' ' LEU . 94.6 m95 -103.25 159.16 15.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.689 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 62.99 136.09 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.818 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -65.45 126.73 92.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.669 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo . . . . . 0 C--N 1.349 0.596 0 C-N-CA 122.432 2.088 . . . . 0.0 112.434 -179.785 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 2.8 Cg_exo . . . . . 0 CA--C 1.529 0.229 0 N-CA-C 111.247 -0.328 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 5' ' ' PRO . 6.4 Cg_exo -75.86 148.9 32.61 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.038 1.826 . . . . 0.0 111.816 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.422 ' O ' ' OG ' ' A' ' 37' ' ' SER . 91.4 Cg_endo -78.56 149.09 23.69 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.792 2.328 . . . . 0.0 113.326 -177.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.511 HD13 ' CH2' ' A' ' 39' ' ' TRP . 16.7 tp -78.37 147.36 72.09 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.966 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.625 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 2.5 Cg_endo -78.42 149.15 24.18 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.379 2.052 . . . . 0.0 111.941 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--O 1.249 1.061 0 C-N-CA 122.337 2.025 . . . . 0.0 112.162 179.662 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 16' ' ' MET . 49.6 m . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 120.562 0.22 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.506 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.4 OUTLIER 66.92 57.52 0.63 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.999 -179.766 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 89.9 m95 -133.54 140.9 47.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.323 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.505 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 20.8 p -110.83 142.31 43.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.934 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -104.39 130.7 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -147.74 155.41 41.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.624 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -110.79 108.06 17.78 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' ARG . 29.8 t -45.87 132.36 6.86 Favored Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.922 178.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.24 -36.28 66.88 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.964 2.443 . . . . 0.0 112.805 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.44 -27.81 57.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 110.246 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.33 34.79 0.92 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.923 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.475 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 14.5 mmm180 -126.79 166.27 17.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.614 0.245 . . . . 0.0 110.595 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.4 m -107.6 104.3 13.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.244 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' CD1' ' HD3' ' B' ' 9' ' ' PRO . 6.7 p90 -106.49 163.28 13.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.935 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -133.49 154.56 50.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.484 . . . . 0.0 111.232 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.505 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 31.2 t80 -123.16 114.57 20.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.478 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 66.4 t30 -77.61 119.63 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.506 HG23 ' HB3' ' A' ' 16' ' ' MET . 4.9 t -87.42 -14.21 41.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -73.09 -54.52 8.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.895 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.3 m -86.86 -22.32 25.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.03 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt 72.71 65.19 0.11 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.485 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -160.21 165.3 31.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 m -104.9 142.74 34.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.1 t -153.59 165.09 37.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.255 0.55 . . . . 0.0 111.989 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.475 ' HZ3' ' HB2' ' A' ' 26' ' ' ARG . 96.4 m95 -104.19 102.34 12.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.901 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 39' ' ' TRP . 10.8 tp10 169.39 133.28 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.831 0.348 . . . . 0.0 111.159 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -91.9 127.92 47.88 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.35 0.61 0 C-N-CA 122.387 2.058 . . . . 0.0 112.228 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo . . . . . 0 CA--C 1.532 0.378 0 CA-C-O 120.439 0.1 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.84 149.62 26.36 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.867 2.378 . . . . 0.0 113.654 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.28 150.56 25.76 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.181 2.587 . . . . 0.0 111.581 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.561 HD11 ' HD2' ' B' ' 9' ' ' PRO . 7.1 tp -77.09 146.34 74.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.514 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.561 ' HD2' HD11 ' B' ' 8' ' ' LEU . 4.1 Cg_exo -79.05 149.18 22.29 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.129 2.552 . . . . 0.0 112.259 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo . . . . . 0 C--O 1.25 1.075 0 C-N-CA 122.221 1.947 . . . . 0.0 112.174 179.511 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.041 0.448 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.568 ' HB3' HG22 ' A' ' 32' ' ' THR . 53.7 mmm -127.18 68.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.966 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -133.12 160.5 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.04 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.543 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 39.8 p -127.26 146.69 50.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.429 177.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -104.16 128.52 51.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -147.68 165.2 31.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.882 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -116.55 116.6 27.91 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.471 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 40.7 t -53.31 144.68 29.51 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.566 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.77 -17.46 50.25 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.905 2.404 . . . . 0.0 112.558 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.09 13.2 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.077 0.465 . . . . 0.0 109.915 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.01 36.05 36.99 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.184 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 18.3 mmt180 -118.07 166.12 12.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.651 0.262 . . . . 0.0 110.737 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -109.31 104.39 13.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.163 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -110.26 165.0 12.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.902 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -132.4 148.71 52.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.35 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.543 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 32.8 t80 -112.33 124.59 52.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.288 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.519 HD21 ' H ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -85.0 110.38 18.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.04 179.43 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.568 HG22 ' HB3' ' A' ' 16' ' ' MET . 4.7 t -82.84 -12.49 57.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.707 0.289 . . . . 0.0 111.315 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.519 ' H ' HD21 ' A' ' 31' ' ' ASN . 12.0 tp10 -79.99 -63.03 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.349 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 m -76.52 -14.86 59.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.359 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt 66.28 67.74 0.45 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.305 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -159.93 165.52 31.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.816 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.9 m -104.4 136.17 44.47 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 t -138.45 161.73 36.27 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.574 0.702 . . . . 0.0 112.815 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.534 ' CH2' HD11 ' B' ' 8' ' ' LEU . 96.8 m95 -104.66 156.77 17.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.35 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 64.5 138.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.197 0.523 . . . . 0.0 111.64 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -68.55 135.43 90.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.695 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo . . . . . 0 C--N 1.35 0.638 0 C-N-CA 122.18 1.92 . . . . 0.0 112.559 -179.709 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo . . . . . 0 CA--C 1.528 0.176 0 N-CA-C 111.926 -0.067 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.14 150.34 33.27 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.595 2.197 . . . . 0.0 112.041 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -77.78 149.55 26.5 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.839 2.359 . . . . 0.0 112.497 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.534 HD11 ' CH2' ' A' ' 39' ' ' TRP . 14.0 tp -77.88 146.32 71.89 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.411 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -79.32 149.34 21.75 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.749 2.299 . . . . 0.0 111.67 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--O 1.25 1.083 0 C-N-CA 122.181 1.921 . . . . 0.0 112.157 179.547 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 16' ' ' MET . 8.7 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.649 0.261 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.584 ' HB3' HG23 ' A' ' 32' ' ' THR . 63.0 mtt 69.91 62.64 0.25 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.356 0.598 . . . . 0.0 110.243 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.446 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 80.0 m95 -127.95 155.83 43.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.39 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.495 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 81.6 p -120.65 141.48 50.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.206 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.8 125.62 51.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 111.684 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -143.7 168.44 19.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.346 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -116.76 110.66 18.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.411 ' HG ' ' HD2' ' A' ' 23' ' ' PRO . 43.7 t -50.31 136.08 23.25 Favored Pre-proline 0 C--O 1.235 0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.713 178.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.411 ' HD2' ' HG ' ' A' ' 22' ' ' SER . 85.2 Cg_exo -46.02 -47.45 14.39 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.048 2.499 . . . . 0.0 112.871 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.63 -30.47 8.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.048 0.452 . . . . 0.0 110.551 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.69 41.89 0.55 Allowed Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.017 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.502 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 19.1 mmt180 -125.85 165.78 18.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.758 0.313 . . . . 0.0 111.075 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.3 m -105.49 104.45 14.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.961 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -112.08 165.14 12.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.22 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -130.52 149.43 52.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.997 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.495 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 18.4 t80 -122.64 123.55 41.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.446 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 3.3 t-20 -80.69 125.35 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.584 HG23 ' HB3' ' A' ' 16' ' ' MET . 5.1 t -95.34 -1.48 51.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.654 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -65.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.086 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.427 HG21 ' OD1' ' A' ' 31' ' ' ASN . 10.2 t -95.34 -8.15 36.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.445 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm 71.03 78.64 0.17 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.244 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' HB2' HE21 ' A' ' 36' ' ' GLN . 0.0 OUTLIER -155.16 162.03 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 179.776 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.7 m -104.85 133.62 49.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.765 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.403 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 7.8 t -132.9 159.5 39.73 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.192 0.52 . . . . 0.0 111.879 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.54 ' CH2' HD12 ' B' ' 8' ' ' LEU . 79.6 m95 -104.6 143.66 32.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.655 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 64.11 141.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.222 0.534 . . . . 0.0 111.379 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -56.64 137.4 77.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.87 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo . . . . . 0 C--N 1.348 0.54 0 C-N-CA 122.577 2.185 . . . . 0.0 112.522 -179.841 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 N--CA 1.463 -0.275 0 CA-C-O 120.449 0.104 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.429 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.1 Cg_exo -77.48 149.65 27.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.769 2.313 . . . . 0.0 112.188 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.98 149.16 25.52 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.524 2.149 . . . . 0.0 112.155 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.54 HD12 ' CH2' ' A' ' 39' ' ' TRP . 21.1 tp -77.85 146.45 72.28 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.553 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' THR . 4.3 Cg_exo -79.25 149.29 21.87 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.801 2.334 . . . . 0.0 111.842 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.185 1.924 . . . . 0.0 112.129 179.614 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.455 ' N ' ' HE1' ' A' ' 17' ' ' TRP . 22.7 t . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.657 0.265 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.524 ' HB3' HG23 ' A' ' 32' ' ' THR . 1.6 mpt? 66.84 71.93 0.37 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.66 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.455 ' HE1' ' N ' ' A' ' 15' ' ' SER . 17.9 m95 -138.41 158.9 43.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.226 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.519 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 36.3 p -119.49 141.72 48.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.458 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -104.06 127.68 51.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 0.0 112.06 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -147.16 169.87 18.4 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.214 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -119.92 108.49 14.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 26' ' ' ARG . 45.3 t -49.15 132.47 16.17 Favored Pre-proline 0 C--O 1.234 0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.57 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -50.92 -35.86 51.1 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.08 2.52 . . . . 0.0 112.688 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.44 -31.36 55.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.047 0.451 . . . . 0.0 109.944 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.04 33.24 0.8 Allowed Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.333 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.496 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 10.1 mmt180 -127.45 165.77 19.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.743 0.306 . . . . 0.0 111.07 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.0 m -105.58 108.22 19.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.973 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -109.68 165.26 11.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.942 0.401 . . . . 0.0 111.505 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -130.76 137.97 49.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.519 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 30.6 t80 -108.26 117.44 34.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.34 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -71.79 121.53 19.1 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.524 HG23 ' HB3' ' A' ' 16' ' ' MET . 7.5 t -93.86 -5.81 47.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.963 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.63 -66.69 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.155 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.45 ' HB ' HE21 ' A' ' 36' ' ' GLN . 18.3 m -79.15 -16.4 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 71.55 68.68 0.16 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.928 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.45 HE21 ' HB ' ' A' ' 34' ' ' THR . 22.9 pt20 -156.44 166.59 32.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.676 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 m -103.27 137.08 41.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.255 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 13.9 t -140.03 159.22 42.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.289 0.566 . . . . 0.0 112.224 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.522 ' CH2' HD13 ' B' ' 8' ' ' LEU . 94.7 m95 -104.02 163.32 12.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 62.84 139.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.618 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -60.48 112.37 5.47 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.657 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo . . . . . 0 C--N 1.346 0.446 0 C-N-CA 122.596 2.197 . . . . 0.0 112.771 -179.787 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo . . . . . 0 CA--C 1.529 0.272 0 N-CA-C 112.735 0.244 . . . . 0.0 112.735 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 5.6 Cg_exo -76.84 150.43 30.46 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.001 2.468 . . . . 0.0 111.944 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 6.3 Cg_exo -77.03 149.16 28.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.867 2.378 . . . . 0.0 112.235 -178.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.522 HD13 ' CH2' ' A' ' 39' ' ' TRP . 17.5 tp -78.08 146.39 71.28 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.802 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.41 ' HG3' ' N ' ' A' ' 38' ' ' THR . 6.3 Cg_exo -79.19 149.4 22.1 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.068 2.512 . . . . 0.0 112.2 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 122.226 1.95 . . . . 0.0 112.063 179.455 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 16' ' ' MET . 46.6 m . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.654 0.264 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.443 ' HB2' ' O ' ' A' ' 15' ' ' SER . 25.0 mmt 70.26 56.71 0.28 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.219 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.423 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 90.0 m95 -141.85 149.08 39.83 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.611 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.565 ' HG1' ' HB3' ' A' ' 30' ' ' TYR . 43.2 p -119.26 148.16 43.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.657 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.18 131.16 51.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.18 0.514 . . . . 0.0 112.244 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -149.84 170.7 18.16 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.972 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -127.4 118.19 23.62 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.7 t -53.59 141.88 43.43 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.589 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.18 -17.39 38.68 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.239 2.626 . . . . 0.0 112.821 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -85.09 14.2 5.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.06 0.457 . . . . 0.0 110.18 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.84 32.57 40.11 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.18 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 6.8 mtt180 -115.51 165.63 12.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.739 0.304 . . . . 0.0 110.756 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 m -111.13 110.01 20.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.278 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -118.92 162.48 18.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 111.091 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.639 ' HH ' ' HG2' ' A' ' 41' ' ' LYS . 46.2 m-85 -130.79 152.52 50.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.18 -179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.565 ' HB3' ' HG1' ' A' ' 18' ' ' THR . 31.5 t80 -114.78 119.18 35.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.36 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.423 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 59.8 t30 -80.13 122.74 27.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.656 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.424 HG22 ' HB3' ' A' ' 16' ' ' MET . 8.6 t -94.86 -11.25 29.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.94 -60.4 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.171 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.7 m -88.61 -17.48 30.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.157 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.3 mttm 72.27 67.46 0.13 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.994 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -154.83 165.36 36.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.609 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.485 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 19.4 m -104.64 139.69 39.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.225 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.44 165.5 27.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.214 0.53 . . . . 0.0 112.123 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.539 ' CH2' HD12 ' B' ' 8' ' ' LEU . 99.6 m95 -103.75 165.59 10.94 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.881 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 65.91 142.46 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.658 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.654 ' HZ3' ' HB3' ' A' ' 41' ' ' LYS . 9.3 mtpm? -54.32 130.03 60.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.546 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 41' ' ' LYS . 59.2 Cg_endo . . . . . 0 N--CA 1.456 -0.707 0 C-N-CA 123.418 2.745 . . . . 0.0 112.726 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 2.7 Cg_exo . . . . . 0 N--CA 1.463 -0.284 0 CA-C-O 120.549 0.145 . . . . 0.0 112.46 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.434 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 3.8 Cg_exo -77.4 150.98 29.04 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.104 2.536 . . . . 0.0 112.393 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.04 149.18 28.42 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.559 2.173 . . . . 0.0 111.882 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.539 HD12 ' CH2' ' A' ' 39' ' ' TRP . 16.7 tp -77.74 146.74 73.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.073 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.485 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 5.8 Cg_exo -78.81 149.11 22.96 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.254 2.636 . . . . 0.0 112.265 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo . . . . . 0 C--O 1.25 1.12 0 C-N-CA 122.305 2.003 . . . . 0.0 112.313 179.207 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.0 p . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.524 0.202 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.605 ' HB3' HG21 ' A' ' 32' ' ' THR . 23.8 mmt 69.98 57.84 0.29 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.208 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -130.59 162.07 30.14 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.487 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 44.2 p -135.12 144.08 46.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.304 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -104.5 122.29 45.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.147 0.498 . . . . 0.0 111.854 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -141.99 164.8 29.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.871 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -116.53 117.35 29.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.626 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 32.2 t -53.18 144.12 30.58 Favored Pre-proline 0 C--O 1.234 0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.024 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 48.6 Cg_exo -55.61 -40.07 87.49 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.244 2.629 . . . . 0.0 113.32 -178.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' HB3' ' NE ' ' A' ' 26' ' ' ARG . 16.4 t70 -59.9 -15.43 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.754 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.51 41.11 1.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.329 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.626 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 0.1 OUTLIER -122.88 166.4 15.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 0.0 111.297 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -112.14 104.2 12.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.327 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -110.23 165.63 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.72 138.35 48.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.273 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.487 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 39.5 t80 -107.81 127.5 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.324 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 34' ' ' THR . 53.2 t30 -93.75 114.41 26.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.605 HG21 ' HB3' ' A' ' 16' ' ' MET . 7.4 t -83.69 -4.91 59.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.516 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 9.0 tp10 -79.2 -58.32 3.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.982 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.446 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 46.3 m -87.27 -15.14 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.981 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.498 ' HB3' ' HZ1' ' A' ' 35' ' ' LYS . 1.3 mmmp? 68.05 60.43 0.42 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.425 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -150.57 165.17 34.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.936 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 m -109.6 139.25 44.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.892 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.7 t -140.36 162.66 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.167 0.508 . . . . 0.0 112.011 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.563 ' CH2' HD11 ' B' ' 8' ' ' LEU . 98.8 m95 -102.99 157.18 17.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.377 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 64.18 137.03 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -66.7 130.34 94.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.047 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo . . . . . 0 C--N 1.349 0.594 0 C-N-CA 122.467 2.111 . . . . 0.0 112.066 179.654 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 N--CA 1.463 -0.281 0 N-CA-C 112.516 0.16 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 6.5 Cg_exo -76.9 150.4 30.19 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.855 2.37 . . . . 0.0 111.839 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 6.0 Cg_exo -76.94 149.02 28.61 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.817 2.345 . . . . 0.0 112.284 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.563 HD11 ' CH2' ' A' ' 39' ' ' TRP . 17.5 tp -78.33 146.99 71.6 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -78.58 149.03 23.6 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.662 2.241 . . . . 0.0 111.793 179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.228 1.952 . . . . 0.0 112.384 179.713 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.465 ' HG ' ' H ' ' A' ' 16' ' ' MET . 17.0 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.677 0.275 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.465 ' H ' ' HG ' ' A' ' 15' ' ' SER . 0.1 OUTLIER 71.44 61.5 0.16 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.549 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -131.03 145.06 51.91 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.421 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.497 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 77.2 p -107.24 145.02 33.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.275 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -104.3 126.7 51.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.994 0.426 . . . . 0.0 111.731 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -143.96 160.67 40.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.126 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' NZ ' ' HA2' ' A' ' 25' ' ' GLY . 63.6 tttm -112.27 105.34 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' ARG . 47.3 t -47.65 140.38 8.03 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -60.35 -18.31 52.2 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.271 2.647 . . . . 0.0 112.871 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.13 15.4 2.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.979 0.418 . . . . 0.0 110.302 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' HA2' ' NZ ' ' A' ' 21' ' ' LYS . . . 76.6 33.72 46.57 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.04 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.43 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -122.71 165.92 15.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.297 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.4 m -111.6 106.71 15.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.273 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -111.46 163.08 14.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 111.089 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.539 ' HH ' ' HG3' ' A' ' 41' ' ' LYS . 80.8 m-85 -128.98 152.47 48.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.497 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 21.4 t80 -125.1 115.26 20.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.763 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -72.94 126.91 31.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.124 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.427 HG22 ' HB3' ' A' ' 16' ' ' MET . 3.3 t -86.1 -33.63 20.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.747 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.05 -61.77 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.556 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.0 m -71.78 -19.92 61.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.285 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.7 mttp 61.14 71.28 0.57 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.572 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.411 HE21 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -159.13 165.07 34.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.005 -179.807 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -104.63 131.37 52.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.753 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.404 ' HB ' ' OE1' ' A' ' 36' ' ' GLN . 11.7 t -131.37 157.54 43.13 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.105 0.478 . . . . 0.0 111.913 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.461 ' CH2' HD11 ' B' ' 8' ' ' LEU . 87.6 m95 -104.04 150.44 24.27 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.616 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 63.39 148.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.64 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -47.74 143.03 6.33 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.028 179.606 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo . . . . . 0 C--N 1.348 0.506 0 C-N-CA 122.51 2.14 . . . . 0.0 112.339 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 4.8 Cg_exo . . . . . 0 CA--C 1.527 0.171 0 N-CA-C 112.355 0.098 . . . . 0.0 112.355 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 5' ' ' PRO . 6.8 Cg_exo -76.08 149.94 33.03 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.712 2.275 . . . . 0.0 111.581 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.98 149.02 25.4 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.575 2.184 . . . . 0.0 113.094 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.548 HD13 ' HD2' ' B' ' 9' ' ' PRO . 8.7 tp -78.32 147.07 71.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.23 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.548 ' HD2' HD13 ' B' ' 8' ' ' LEU . 5.8 Cg_exo -78.59 149.07 23.6 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.735 2.29 . . . . 0.0 112.025 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 9' ' ' PRO . 3.3 Cg_exo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.535 2.157 . . . . 0.0 111.974 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 16' ' ' MET . 68.2 m . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.525 0.202 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.572 ' HB3' HG22 ' A' ' 32' ' ' THR . 0.2 OUTLIER 68.22 68.48 0.33 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.241 0.543 . . . . 0.0 111.256 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.47 ' CZ2' ' HG3' ' A' ' 42' ' ' PRO . 45.7 m95 -132.07 155.32 48.3 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.741 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.484 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 75.0 p -117.58 143.18 46.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.105 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -104.45 127.35 52.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.988 0.423 . . . . 0.0 111.789 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -146.96 166.6 26.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.28 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.514 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 3.4 ttpm? -114.59 108.26 16.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.43 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 39.5 t -49.95 139.96 16.62 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.428 178.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.98 -19.56 56.11 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.287 2.658 . . . . 0.0 112.815 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.33 9.75 5.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.951 0.405 . . . . 0.0 110.384 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.41 34.63 22.48 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.162 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.43 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 15.0 mmt180 -122.76 165.99 15.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.0 m -109.53 104.8 13.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.583 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -110.0 163.14 13.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.267 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -131.81 142.41 49.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.943 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.484 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 27.8 t80 -114.72 119.36 36.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.52 125.93 29.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.248 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.572 HG22 ' HB3' ' A' ' 16' ' ' MET . 3.7 t -90.46 -9.37 47.65 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.3 -65.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.097 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.6 m -80.75 -18.24 48.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.075 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 72.75 64.17 0.11 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.569 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -147.53 165.55 30.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.526 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.7 143.34 32.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.476 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.481 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 15.1 t -143.59 159.69 42.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.04 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.568 ' CH2' HD13 ' B' ' 8' ' ' LEU . 99.3 m95 -104.01 132.44 50.26 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.076 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 64.64 136.92 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.074 0.464 . . . . 0.0 111.551 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -67.12 153.2 95.08 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.47 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 69.1 Cg_endo . . . . . 0 C--N 1.349 0.587 0 C-N-CA 123.017 2.478 . . . . 0.0 112.704 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 3.7 Cg_exo . . . . . 0 N--CA 1.462 -0.328 0 CA-C-O 120.657 0.191 . . . . 0.0 112.538 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.44 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.6 Cg_exo -78.42 149.78 24.68 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.45 2.766 . . . . 0.0 113.082 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.0 Cg_exo -78.01 149.29 25.54 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.044 2.496 . . . . 0.0 111.484 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.568 HD13 ' CH2' ' A' ' 39' ' ' TRP . 17.0 tp -77.84 146.69 72.78 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.564 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.481 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.4 Cg_exo -78.72 149.3 23.37 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.872 2.381 . . . . 0.0 112.162 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.322 2.015 . . . . 0.0 112.108 179.563 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.232 0.143 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.635 ' HB3' HG21 ' A' ' 32' ' ' THR . 70.1 mtp 70.03 60.77 0.25 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.033 0.444 . . . . 0.0 111.023 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -132.21 163.6 28.21 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.458 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 2.2 p -130.91 145.67 52.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.954 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -104.62 125.43 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.145 0.497 . . . . 0.0 111.687 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -148.5 172.76 13.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.326 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.592 ' HZ1' ' HB2' ' A' ' 21' ' ' LYS . 9.6 mtmp? -131.45 118.24 19.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 t -53.8 141.52 46.76 Favored Pre-proline 0 C--O 1.235 0.302 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.723 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.34 -19.14 62.84 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.1 2.533 . . . . 0.0 112.476 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.83 4.5 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.421 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.54 31.71 11.16 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -120.01 166.1 13.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.752 0.311 . . . . 0.0 110.784 -179.632 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.9 m -111.34 110.0 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.082 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -116.29 163.84 15.41 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.765 0.316 . . . . 0.0 111.333 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -133.21 152.21 51.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.458 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 22.4 t80 -111.01 129.54 55.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.786 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -93.1 106.52 18.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.413 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.635 HG21 ' HB3' ' A' ' 16' ' ' MET . 10.0 t -86.26 6.15 31.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.755 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 36.1 tt0 -91.32 -67.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.1 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.9 m -78.04 -15.73 58.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.933 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 73.92 70.89 0.11 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.341 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -164.0 165.74 22.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.597 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.47 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 30.2 m -103.73 138.29 40.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 t -131.84 159.93 37.11 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.512 ' CH2' HD11 ' B' ' 8' ' ' LEU . 89.5 m95 -104.09 156.57 17.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.476 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 62.7 147.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.51 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -48.8 137.96 12.72 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.103 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo . . . . . 0 C--N 1.349 0.555 0 C-N-CA 122.537 2.158 . . . . 0.0 112.489 -179.805 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo . . . . . 0 N--CA 1.463 -0.287 0 CA-C-O 120.371 0.071 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -77.47 150.42 28.28 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.82 2.347 . . . . 0.0 112.282 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.84 149.37 26.14 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.512 HD11 ' CH2' ' A' ' 39' ' ' TRP . 15.6 tp -77.86 147.01 73.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.622 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.47 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 4.7 Cg_exo -78.74 149.26 23.27 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.787 2.324 . . . . 0.0 112.017 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo . . . . . 0 C--O 1.248 1.002 0 C-N-CA 122.276 1.984 . . . . 0.0 112.224 179.642 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.373 0.13 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.619 ' HB3' HG23 ' A' ' 32' ' ' THR . 24.4 mmt 63.7 56.65 1.51 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 110.185 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -130.13 155.01 46.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.366 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.473 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 73.2 p -129.15 141.07 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.923 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -104.64 128.08 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 112.12 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -147.5 172.57 13.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.902 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.27 130.61 52.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.711 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 41.2 t -60.68 147.88 83.12 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.41 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -48.81 -54.95 4.62 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.946 2.43 . . . . 0.0 113.335 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -50.05 -23.53 2.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.927 0.394 . . . . 0.0 111.074 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.5 42.47 0.81 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.474 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.711 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -114.08 165.79 12.27 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.556 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.1 m -105.59 104.03 13.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -113.12 163.79 14.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.879 0.371 . . . . 0.0 110.702 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -129.5 155.34 45.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.473 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 26.9 t80 -126.99 121.99 33.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.212 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -85.25 116.75 23.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.619 HG23 ' HB3' ' A' ' 16' ' ' MET . 6.4 t -86.18 -3.77 59.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.621 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -85.06 -50.29 7.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.042 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.0 m -91.25 -17.51 25.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.139 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 70.41 65.35 0.2 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.841 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -160.02 165.13 32.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.59 147.45 27.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.653 178.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.481 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 12.6 t -142.56 157.18 44.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 112.11 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.496 ' CH2' HD12 ' B' ' 8' ' ' LEU . 90.4 m95 -103.5 157.89 16.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.282 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 63.13 139.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.158 0.504 . . . . 0.0 111.409 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -58.4 127.69 81.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo . . . . . 0 C--N 1.349 0.553 0 C-N-CA 122.559 2.173 . . . . 0.0 112.092 179.844 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo . . . . . 0 N--CA 1.463 -0.275 0 N-CA-C 111.951 -0.057 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . 0.428 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.7 Cg_exo -77.93 149.33 25.83 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.799 2.333 . . . . 0.0 112.528 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.47 149.17 24.04 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.599 2.199 . . . . 0.0 112.235 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.496 HD12 ' CH2' ' A' ' 39' ' ' TRP . 14.6 tp -78.0 147.1 72.99 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.125 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.481 ' HG3' ' N ' ' A' ' 38' ' ' THR . 2.5 Cg_endo -78.85 149.37 23.02 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.598 2.199 . . . . 0.0 112.025 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.206 1.937 . . . . 0.0 112.21 179.625 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.622 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.92 0.39 . . . . 0.0 111.301 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -132.03 162.32 31.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.851 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 21.8 p -126.67 141.45 51.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.973 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -104.4 122.18 44.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 111.502 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -144.07 154.33 43.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.32 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -102.6 106.86 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.927 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' ARG . 28.1 t -44.26 130.08 4.6 Favored Pre-proline 0 C--O 1.233 0.214 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.606 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.48 -37.64 42.42 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.102 2.535 . . . . 0.0 113.204 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.59 -27.93 63.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.976 0.417 . . . . 0.0 110.284 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.406 ' O ' ' HD2' ' A' ' 26' ' ' ARG . . . 120.46 37.23 0.74 Allowed Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.805 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 8.5 mmm180 -127.5 167.19 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.619 0.247 . . . . 0.0 110.872 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.0 m -106.15 104.55 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.39 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -111.85 161.46 16.33 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.016 0.436 . . . . 0.0 111.534 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -130.1 147.63 51.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.811 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.502 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 32.9 t80 -120.23 122.56 41.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -79.16 114.17 17.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.673 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 16' ' ' MET . 8.2 t -92.39 7.55 42.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.35 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 9.9 tp10 -91.73 -31.67 15.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.069 0.462 . . . . 0.0 110.227 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.8 m -120.8 -13.61 8.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.083 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 72.03 62.51 0.13 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.842 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -142.38 161.93 36.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.55 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.47 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 16.0 m -105.01 138.23 41.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.403 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.9 t -139.7 155.26 47.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.95 0.405 . . . . 0.0 111.84 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.797 ' CH2' HD11 ' B' ' 8' ' ' LEU . 79.7 m95 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.915 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 97.7 Cg_endo . . . . . 0 C--O 1.233 0.242 0 N-CA-C 112.798 0.268 . . . . 0.0 112.798 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.7 Cg_exo -77.95 148.53 25.07 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.85 2.367 . . . . 0.0 111.901 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.797 HD11 ' CH2' ' A' ' 39' ' ' TRP . 8.3 tp -78.56 146.19 69.05 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.739 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 4.3 Cg_exo -79.55 149.48 21.25 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.086 2.524 . . . . 0.0 111.684 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 9' ' ' PRO . 15.5 Cg_exo . . . . . 0 C--O 1.25 1.078 0 C-N-CA 122.167 1.911 . . . . 0.0 112.02 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 32' ' ' THR . 24.9 mmt . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.887 0.375 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -137.31 156.16 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 38.0 p -116.48 143.16 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.67 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -104.37 124.66 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.54 . . . . 0.0 111.662 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -144.71 168.13 20.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.914 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -117.59 114.33 23.26 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 34.8 t -50.35 144.22 12.15 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.735 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 24.2 Cg_exo -62.68 -17.58 59.6 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.204 2.603 . . . . 0.0 112.918 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.5 13.18 7.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 110.133 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.88 38.48 19.57 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.018 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.464 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 6.7 mmm180 -124.02 167.11 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.672 0.272 . . . . 0.0 110.719 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.1 m -111.7 106.8 15.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.262 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -110.95 165.13 12.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.039 0.447 . . . . 0.0 111.506 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -131.69 156.08 46.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.518 ' CG ' ' HB3' ' B' ' 6' ' ' PRO . 30.4 t80 -128.05 126.94 42.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -80.07 117.47 20.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.373 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 16' ' ' MET . 9.4 t -86.95 -21.27 26.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.525 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -75.46 -48.79 21.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.665 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 m -88.98 -19.86 25.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.56 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mttp 67.94 66.33 0.36 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.719 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.11 165.71 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.667 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m -104.08 134.6 47.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.117 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 t -135.36 155.44 50.58 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.769 ' CH2' HD11 ' B' ' 8' ' ' LEU . 89.9 m95 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.213 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.518 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.2 Cg_exo . . . . . 0 CA--C 1.53 0.316 0 N-CA-C 113.913 0.697 . . . . 0.0 113.913 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.36 149.79 24.86 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.478 2.785 . . . . 0.0 111.639 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.769 HD11 ' CH2' ' A' ' 39' ' ' TRP . 6.0 tp -77.65 146.0 72.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.389 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.472 ' HB2' ' CD1' ' A' ' 39' ' ' TRP . 2.6 Cg_endo -79.82 149.4 20.54 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.923 2.416 . . . . 0.0 112.099 179.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.116 1.877 . . . . 0.0 112.248 179.514 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.617 ' HB2' ' HG3' ' A' ' 33' ' ' GLU . 47.5 mtt . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.107 0.479 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -127.8 165.06 20.84 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.479 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 65.6 p -128.93 138.0 51.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.304 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -104.67 129.66 52.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.839 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -147.59 162.26 39.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.387 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -118.31 111.04 18.23 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.612 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 23.0 t -52.84 143.99 28.08 Favored Pre-proline 0 C--O 1.235 0.301 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.847 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.43 -19.44 43.78 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.268 2.645 . . . . 0.0 112.879 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.2 11.61 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 110.262 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.57 33.23 39.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.737 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.612 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 23.5 mmt180 -117.28 165.84 12.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.643 0.259 . . . . 0.0 111.047 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.6 m -115.4 104.34 11.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.093 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -108.33 159.3 16.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.874 0.369 . . . . 0.0 111.198 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -128.43 152.91 47.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.489 ' CG ' ' HB3' ' B' ' 6' ' ' PRO . 20.6 t80 -130.86 124.68 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.715 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.491 ' ND2' ' H ' ' A' ' 33' ' ' GLU . 2.8 t-20 -85.85 132.74 34.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.425 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.532 HG23 ' HB3' ' A' ' 16' ' ' MET . 2.1 t -94.75 -11.12 29.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.707 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.617 ' HG3' ' HB2' ' A' ' 16' ' ' MET . 27.9 mt-10 -70.11 -65.3 0.74 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.983 0.42 . . . . 0.0 110.254 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.461 ' HB ' ' OE1' ' A' ' 36' ' ' GLN . 88.8 m -86.22 -15.35 41.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.12 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt 69.07 77.26 0.23 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.118 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 19.5 pm0 -154.49 161.43 41.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 0.0 111.237 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.2 m -107.72 139.84 41.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.001 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 15.0 t -143.86 161.85 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 112.019 -179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.766 ' CH2' HD11 ' B' ' 8' ' ' LEU . 97.2 m95 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.063 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.489 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.2 Cg_exo . . . . . 0 N--CA 1.463 -0.278 0 N-CA-C 112.75 0.25 . . . . 0.0 112.75 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.6 Cg_exo -77.81 149.21 26.09 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.85 2.367 . . . . 0.0 111.736 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.766 HD11 ' CH2' ' A' ' 39' ' ' TRP . 7.9 tp -78.18 146.4 70.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.405 ' HG3' ' N ' ' A' ' 38' ' ' THR . 5.8 Cg_exo -79.2 149.05 21.84 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.731 2.287 . . . . 0.0 111.885 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo . . . . . 0 C--O 1.249 1.068 0 C-N-CA 122.206 1.938 . . . . 0.0 112.294 179.562 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 32' ' ' THR . 23.5 mmt . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -136.54 145.91 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.059 0.456 . . . . 0.0 111.89 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -104.59 136.55 43.91 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.295 178.263 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -104.63 122.08 44.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 111.753 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -146.5 165.55 29.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.296 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -117.54 114.66 23.77 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.402 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 30.7 t -53.74 141.83 45.22 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.325 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.62 -17.48 49.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.128 2.552 . . . . 0.0 112.739 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.23 11.6 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.038 0.447 . . . . 0.0 110.204 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.06 39.03 13.61 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.418 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 16.7 mmt180 -125.01 166.23 16.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 0.0 110.956 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.9 m -113.5 104.34 12.17 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -109.07 165.07 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.035 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 18' ' ' THR . 75.4 m-85 -132.01 155.37 48.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.898 0.38 . . . . 0.0 111.717 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' B' ' 6' ' ' PRO . 20.9 t80 -117.38 112.14 20.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.628 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -72.02 126.4 29.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.511 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -92.53 -17.62 24.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 0.0 111.657 -179.598 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.92 -53.62 17.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.85 0.357 . . . . 0.0 110.71 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.7 m -93.69 -10.34 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 62.6 65.98 0.8 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -153.49 166.36 32.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.024 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.453 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 23.7 m -103.94 139.6 38.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 t -142.85 164.87 28.91 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.358 0.599 . . . . 0.0 112.276 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.593 ' CH2' HD11 ' B' ' 8' ' ' LEU . 98.7 m95 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.456 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 4.7 Cg_exo . . . . . 0 N--CA 1.462 -0.341 0 CA-C-O 120.492 0.122 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.09 149.19 28.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.495 2.13 . . . . 0.0 111.861 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.593 HD11 ' CH2' ' A' ' 39' ' ' TRP . 16.5 tp -77.88 146.66 72.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.785 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.453 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 6.3 Cg_exo -78.87 149.16 22.82 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.883 2.389 . . . . 0.0 112.098 179.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.35 2.033 . . . . 0.0 112.24 179.433 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.596 ' HB3' HG23 ' A' ' 32' ' ' THR . 95.7 mmm . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.852 0.358 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -131.62 152.48 50.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.441 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.499 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 80.9 p -113.64 150.2 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.651 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -103.97 131.37 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.136 0.493 . . . . 0.0 112.095 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -150.04 166.62 29.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.955 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -123.44 115.75 22.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' ARG . 27.8 t -52.69 143.05 30.72 Favored Pre-proline 0 C--O 1.234 0.269 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.623 178.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.03 -22.65 64.85 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.223 2.615 . . . . 0.0 112.882 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.56 8.97 4.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 0.0 110.403 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.95 36.53 15.1 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.227 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 22' ' ' SER . 11.1 mmt180 -120.38 166.08 14.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.631 0.253 . . . . 0.0 110.742 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.0 m -110.49 104.96 13.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.278 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -110.75 163.44 13.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.79 0.329 . . . . 0.0 110.923 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -128.61 142.62 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.941 0.4 . . . . 0.0 111.554 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.499 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 26.7 t80 -112.46 108.51 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.281 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -64.69 121.92 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.529 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.596 HG23 ' HB3' ' A' ' 16' ' ' MET . 5.0 t -87.58 -7.83 57.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.073 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -83.12 -74.06 0.38 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.877 0.37 . . . . 0.0 110.251 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.0 m -69.36 -16.08 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.889 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 mttt 69.46 65.34 0.26 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.198 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -153.36 165.56 35.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.481 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.637 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 3.3 m -107.13 152.98 23.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.665 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.9 t -148.15 162.76 38.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 0.0 111.53 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.547 ' CH2' HD11 ' B' ' 8' ' ' LEU . 94.6 m95 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.689 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo . . . . . 0 CA--C 1.53 0.288 0 CA-C-O 120.628 0.178 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.407 ' O ' ' OG ' ' A' ' 37' ' ' SER . 91.4 Cg_endo -78.56 149.09 23.69 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.792 2.328 . . . . 0.0 113.326 -177.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.547 HD11 ' CH2' ' A' ' 39' ' ' TRP . 16.7 tp -78.37 147.36 72.09 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.966 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.637 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 2.5 Cg_endo -78.42 149.15 24.18 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.379 2.052 . . . . 0.0 111.941 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--O 1.249 1.061 0 C-N-CA 122.337 2.025 . . . . 0.0 112.162 179.662 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.47 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.969 0.414 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 89.9 m95 -133.54 140.9 47.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.323 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 20.8 p -110.83 142.31 43.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.934 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -104.39 130.7 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -147.74 155.41 41.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.624 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -110.79 108.06 17.78 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' ARG . 29.8 t -45.87 132.36 6.86 Favored Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.922 178.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 52.4 Cg_exo -52.24 -36.28 66.88 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.964 2.443 . . . . 0.0 112.805 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.44 -27.81 57.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 110.246 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.33 34.79 0.92 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.923 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.5 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 14.5 mmm180 -126.79 166.27 17.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.614 0.245 . . . . 0.0 110.595 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.4 m -107.6 104.3 13.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.244 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.427 ' CD1' ' HD3' ' B' ' 9' ' ' PRO . 6.7 p90 -106.49 163.28 13.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.935 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -133.49 154.56 50.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.484 . . . . 0.0 111.232 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.516 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 31.2 t80 -123.16 114.57 20.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.478 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 2.3 t-20 -77.61 119.63 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.47 HG23 ' HB3' ' A' ' 16' ' ' MET . 4.9 t -87.42 -14.21 41.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -73.09 -54.52 8.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.895 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.3 m -86.86 -22.32 25.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.03 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt 72.71 65.19 0.11 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.485 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -160.21 165.3 31.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 6.8 m -104.9 142.74 34.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.1 t -153.59 165.09 37.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.255 0.55 . . . . 0.0 111.989 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.793 ' CH2' HD11 ' B' ' 8' ' ' LEU . 96.4 m95 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.901 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 CA--C 1.529 0.261 0 N-CA-C 113.654 0.598 . . . . 0.0 113.654 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.28 150.56 25.76 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.181 2.587 . . . . 0.0 111.581 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.793 HD11 ' CH2' ' A' ' 39' ' ' TRP . 7.1 tp -77.09 146.34 74.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.514 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.427 ' HD3' ' CD1' ' A' ' 28' ' ' TYR . 4.1 Cg_exo -79.05 149.18 22.29 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.129 2.552 . . . . 0.0 112.259 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo . . . . . 0 C--O 1.25 1.075 0 C-N-CA 122.221 1.947 . . . . 0.0 112.174 179.511 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.594 ' HB3' HG23 ' A' ' 32' ' ' THR . 53.7 mmm . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -133.12 160.5 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.04 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.561 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 39.8 p -127.26 146.69 50.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.429 177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -104.16 128.52 51.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -147.68 165.2 31.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.882 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -116.55 116.6 27.91 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.8 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.482 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 40.7 t -53.31 144.68 29.51 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.566 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.77 -17.46 50.25 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.905 2.404 . . . . 0.0 112.558 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.09 13.2 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.077 0.465 . . . . 0.0 109.915 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.01 36.05 36.99 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.184 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.482 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 18.3 mmt180 -118.07 166.12 12.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.651 0.262 . . . . 0.0 110.737 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -109.31 104.39 13.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.163 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -110.26 165.0 12.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.902 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -132.4 148.71 52.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.35 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.561 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 32.8 t80 -112.33 124.59 52.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.288 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -85.0 110.38 18.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.04 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.594 HG23 ' HB3' ' A' ' 16' ' ' MET . 4.7 t -82.84 -12.49 57.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.707 0.289 . . . . 0.0 111.315 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.416 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 12.0 tp10 -79.99 -63.03 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.349 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 m -76.52 -14.86 59.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.359 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt 66.28 67.74 0.45 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.305 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -159.93 165.52 31.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.816 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.9 m -104.4 136.17 44.47 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 7.5 t -138.45 161.73 36.27 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.574 0.702 . . . . 0.0 112.815 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.594 ' CH2' HD11 ' B' ' 8' ' ' LEU . 96.8 m95 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.35 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.462 -0.346 0 CA-C-O 120.71 0.213 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -77.78 149.55 26.5 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.839 2.359 . . . . 0.0 112.497 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.594 HD11 ' CH2' ' A' ' 39' ' ' TRP . 14.0 tp -77.88 146.32 71.89 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.411 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.41 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.2 Cg_exo -79.32 149.34 21.75 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.749 2.299 . . . . 0.0 111.67 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--O 1.25 1.083 0 C-N-CA 122.181 1.921 . . . . 0.0 112.157 179.547 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.567 ' HB3' HG23 ' A' ' 32' ' ' THR . 63.0 mtt . . . . . 0 C--O 1.234 0.261 0 CA-C-O 121.356 0.598 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.453 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 80.0 m95 -127.95 155.83 43.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.39 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 81.6 p -120.65 141.48 50.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.206 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.8 125.62 51.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 111.684 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -143.7 168.44 19.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.346 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -116.76 110.66 18.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.402 ' HB2' HD11 ' B' ' 8' ' ' LEU . 43.7 t -50.31 136.08 23.25 Favored Pre-proline 0 C--O 1.235 0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.713 178.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -46.02 -47.45 14.39 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.048 2.499 . . . . 0.0 112.871 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.63 -30.47 8.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.048 0.452 . . . . 0.0 110.551 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.69 41.89 0.55 Allowed Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.017 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.521 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 19.1 mmt180 -125.85 165.78 18.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.758 0.313 . . . . 0.0 111.075 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.3 m -105.49 104.45 14.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.961 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -112.08 165.14 12.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.22 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -130.52 149.43 52.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.997 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.502 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 18.4 t80 -122.64 123.55 41.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 3.3 t-20 -80.69 125.35 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.567 HG23 ' HB3' ' A' ' 16' ' ' MET . 5.1 t -95.34 -1.48 51.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.654 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -65.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.086 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.437 HG22 ' OD1' ' A' ' 31' ' ' ASN . 10.2 t -95.34 -8.15 36.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.445 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm 71.03 78.64 0.17 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.244 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HB2' HE21 ' A' ' 36' ' ' GLN . 0.0 OUTLIER -155.16 162.03 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 179.776 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.7 m -104.85 133.62 49.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.765 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.419 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 7.8 t -132.9 159.5 39.73 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.192 0.52 . . . . 0.0 111.879 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.567 ' CH2' HD11 ' B' ' 8' ' ' LEU . 79.6 m95 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.655 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.463 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.1 Cg_exo . . . . . 0 N--CA 1.464 -0.246 0 CA-C-O 120.581 0.159 . . . . 0.0 112.188 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.408 ' HD2' ' CE2' ' A' ' 30' ' ' TYR . 72.6 Cg_endo -77.98 149.16 25.52 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.524 2.149 . . . . 0.0 112.155 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.567 HD11 ' CH2' ' A' ' 39' ' ' TRP . 21.1 tp -77.85 146.45 72.28 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.553 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.419 ' HG3' ' N ' ' A' ' 38' ' ' THR . 4.3 Cg_exo -79.25 149.29 21.87 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.801 2.334 . . . . 0.0 111.842 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.185 1.924 . . . . 0.0 112.129 179.614 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.513 ' HB3' HG23 ' A' ' 32' ' ' THR . 1.6 mpt? . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 111.66 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -138.41 158.9 43.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.226 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.534 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 36.3 p -119.49 141.72 48.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.458 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -104.06 127.68 51.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 0.0 112.06 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -147.16 169.87 18.4 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.214 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -119.92 108.49 14.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 26' ' ' ARG . 45.3 t -49.15 132.47 16.17 Favored Pre-proline 0 C--O 1.234 0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.57 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -50.92 -35.86 51.1 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.08 2.52 . . . . 0.0 112.688 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.44 -31.36 55.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.047 0.451 . . . . 0.0 109.944 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.04 33.24 0.8 Allowed Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.333 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.514 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 10.1 mmt180 -127.45 165.77 19.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.743 0.306 . . . . 0.0 111.07 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.0 m -105.58 108.22 19.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.973 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -109.68 165.26 11.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.942 0.401 . . . . 0.0 111.505 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -130.76 137.97 49.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.534 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 30.6 t80 -108.26 117.44 34.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.34 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -71.79 121.53 19.1 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 16' ' ' MET . 7.5 t -93.86 -5.81 47.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.963 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.63 -66.69 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.155 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.3 m -79.15 -16.4 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 71.55 68.68 0.16 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.928 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -156.44 166.59 32.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.676 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 m -103.27 137.08 41.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.255 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 13.9 t -140.03 159.22 42.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.289 0.566 . . . . 0.0 112.224 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.591 ' CH2' HD11 ' B' ' 8' ' ' LEU . 94.7 m95 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.453 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 5.6 Cg_exo . . . . . 0 CA--C 1.529 0.232 0 CA-C-O 120.375 0.073 . . . . 0.0 111.944 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 6.3 Cg_exo -77.03 149.16 28.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.867 2.378 . . . . 0.0 112.235 -178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.591 HD11 ' CH2' ' A' ' 39' ' ' TRP . 17.5 tp -78.08 146.39 71.28 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.802 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.424 ' HG3' ' N ' ' A' ' 38' ' ' THR . 6.3 Cg_exo -79.19 149.4 22.1 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.068 2.512 . . . . 0.0 112.2 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 122.226 1.95 . . . . 0.0 112.063 179.455 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.415 ' HB3' HG23 ' A' ' 32' ' ' THR . 25.0 mmt . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.427 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 90.0 m95 -141.85 149.08 39.83 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.611 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.54 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 43.2 p -119.26 148.16 43.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.657 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.18 131.16 51.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.18 0.514 . . . . 0.0 112.244 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -149.84 170.7 18.16 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.972 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -127.4 118.19 23.62 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.7 t -53.59 141.88 43.43 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.589 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.18 -17.39 38.68 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.239 2.626 . . . . 0.0 112.821 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -85.09 14.2 5.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.06 0.457 . . . . 0.0 110.18 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.84 32.57 40.11 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.18 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 6.8 mtt180 -115.51 165.63 12.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.739 0.304 . . . . 0.0 110.756 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 m -111.13 110.01 20.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.278 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -118.92 162.48 18.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 111.091 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -130.79 152.52 50.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.18 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.54 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 31.5 t80 -114.78 119.18 35.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.36 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.464 ' ND2' ' H ' ' A' ' 34' ' ' THR . 59.8 t30 -80.13 122.74 27.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.656 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.415 HG23 ' HB3' ' A' ' 16' ' ' MET . 8.6 t -94.86 -11.25 29.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.94 -60.4 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.171 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.464 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 28.7 m -88.61 -17.48 30.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.157 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.3 mttm 72.27 67.46 0.13 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.994 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -154.83 165.36 36.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.609 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.483 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 19.4 m -104.64 139.69 39.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.225 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.44 165.5 27.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.214 0.53 . . . . 0.0 112.123 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.613 ' CH2' HD11 ' B' ' 8' ' ' LEU . 99.6 m95 . . . . . 0 N--CA 1.463 0.205 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.881 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.457 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 3.8 Cg_exo . . . . . 0 N--CA 1.463 -0.309 0 CA-C-O 120.606 0.169 . . . . 0.0 112.393 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.04 149.18 28.42 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.559 2.173 . . . . 0.0 111.882 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.613 HD11 ' CH2' ' A' ' 39' ' ' TRP . 16.7 tp -77.74 146.74 73.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.073 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.483 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 5.8 Cg_exo -78.81 149.11 22.96 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.254 2.636 . . . . 0.0 112.265 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo . . . . . 0 C--O 1.25 1.12 0 C-N-CA 122.305 2.003 . . . . 0.0 112.313 179.207 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.639 ' HB3' HG23 ' A' ' 32' ' ' THR . 23.8 mmt . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.811 0.339 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -130.59 162.07 30.14 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.5 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 44.2 p -135.12 144.08 46.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.304 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -104.5 122.29 45.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.147 0.498 . . . . 0.0 111.854 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -141.99 164.8 29.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.871 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -116.53 117.35 29.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.662 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 32.2 t -53.18 144.12 30.58 Favored Pre-proline 0 C--O 1.234 0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.024 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 48.6 Cg_exo -55.61 -40.07 87.49 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.244 2.629 . . . . 0.0 113.32 -178.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.483 ' HB3' ' NE ' ' A' ' 26' ' ' ARG . 16.4 t70 -59.9 -15.43 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.754 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.51 41.11 1.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.329 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.662 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 0.1 OUTLIER -122.88 166.4 15.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 0.0 111.297 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -112.14 104.2 12.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.327 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -110.23 165.63 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.72 138.35 48.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.273 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.5 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 39.5 t80 -107.81 127.5 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.324 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 34' ' ' THR . 53.2 t30 -93.75 114.41 26.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 16' ' ' MET . 7.4 t -83.69 -4.91 59.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.545 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 9.0 tp10 -79.2 -58.32 3.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.982 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.505 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 46.3 m -87.27 -15.14 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.981 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 1.3 mmmp? 68.05 60.43 0.42 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.425 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -150.57 165.17 34.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.936 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 m -109.6 139.25 44.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.892 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 7.7 t -140.36 162.66 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.167 0.508 . . . . 0.0 112.011 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.592 ' CH2' HD11 ' B' ' 8' ' ' LEU . 98.8 m95 . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.377 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 6.5 Cg_exo . . . . . 0 N--CA 1.463 -0.302 0 CA-C-O 120.514 0.131 . . . . 0.0 111.839 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 6.0 Cg_exo -76.94 149.02 28.61 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.817 2.345 . . . . 0.0 112.284 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.592 HD11 ' CH2' ' A' ' 39' ' ' TRP . 17.5 tp -78.33 146.99 71.6 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.411 ' HG3' ' N ' ' A' ' 38' ' ' THR . 5.6 Cg_exo -78.58 149.03 23.6 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.662 2.241 . . . . 0.0 111.793 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.228 1.952 . . . . 0.0 112.384 179.713 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.469 ' O ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.185 0.517 . . . . 0.0 111.549 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -131.03 145.06 51.91 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.421 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 77.2 p -107.24 145.02 33.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.275 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -104.3 126.7 51.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.994 0.426 . . . . 0.0 111.731 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -143.96 160.67 40.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.126 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.474 ' NZ ' ' HA2' ' A' ' 25' ' ' GLY . 63.6 tttm -112.27 105.34 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' ARG . 47.3 t -47.65 140.38 8.03 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -60.35 -18.31 52.2 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.271 2.647 . . . . 0.0 112.871 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.13 15.4 2.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.979 0.418 . . . . 0.0 110.302 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' HA2' ' NZ ' ' A' ' 21' ' ' LYS . . . 76.6 33.72 46.57 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.04 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -122.71 165.92 15.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.297 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.4 m -111.6 106.71 15.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.273 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -111.46 163.08 14.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 111.089 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -128.98 152.47 48.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.506 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 21.4 t80 -125.1 115.26 20.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.763 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -72.94 126.91 31.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.124 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 16' ' ' MET . 3.3 t -86.1 -33.63 20.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.747 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.05 -61.77 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.556 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.0 m -71.78 -19.92 61.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.285 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.7 mttp 61.14 71.28 0.57 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.572 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.475 HE21 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -159.13 165.07 34.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.005 -179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -104.63 131.37 52.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.753 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.413 ' HB ' ' OE1' ' A' ' 36' ' ' GLN . 11.7 t -131.37 157.54 43.13 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.105 0.478 . . . . 0.0 111.913 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.754 ' CH2' HD11 ' B' ' 8' ' ' LEU . 87.6 m95 . . . . . 0 N--CA 1.463 0.185 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.616 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 CA--C 1.529 0.265 0 N-CA-C 111.581 -0.199 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.98 149.02 25.4 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.575 2.184 . . . . 0.0 113.094 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.754 HD11 ' CH2' ' A' ' 39' ' ' TRP . 8.7 tp -78.32 147.07 71.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.23 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 5.8 Cg_exo -78.59 149.07 23.6 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.735 2.29 . . . . 0.0 112.025 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 9' ' ' PRO . 3.3 Cg_exo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.535 2.157 . . . . 0.0 111.974 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.555 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.241 0.543 . . . . 0.0 111.256 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.7 m95 -132.07 155.32 48.3 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.741 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.489 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 75.0 p -117.58 143.18 46.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.105 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -104.45 127.35 52.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.988 0.423 . . . . 0.0 111.789 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -146.96 166.6 26.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.28 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.461 ' NZ ' ' HB3' ' A' ' 21' ' ' LYS . 3.4 ttpm? -114.59 108.26 16.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 39.5 t -49.95 139.96 16.62 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.428 178.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.98 -19.56 56.11 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.287 2.658 . . . . 0.0 112.815 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.33 9.75 5.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.951 0.405 . . . . 0.0 110.384 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.41 34.63 22.48 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.162 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.448 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 15.0 mmt180 -122.76 165.99 15.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.0 m -109.53 104.8 13.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.583 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -110.0 163.14 13.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.267 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -131.81 142.41 49.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.943 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.489 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 27.8 t80 -114.72 119.36 36.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.52 125.93 29.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.248 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.555 HG23 ' HB3' ' A' ' 16' ' ' MET . 3.7 t -90.46 -9.37 47.65 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.3 -65.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.097 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.6 m -80.75 -18.24 48.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.075 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 72.75 64.17 0.11 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.569 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -147.53 165.55 30.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.526 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.7 143.34 32.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.476 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.495 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 15.1 t -143.59 159.69 42.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.04 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.594 ' CH2' HD11 ' B' ' 8' ' ' LEU . 99.3 m95 . . . . . 0 N--CA 1.462 0.17 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.076 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 3.6 Cg_exo . . . . . 0 N--CA 1.463 -0.319 0 N-CA-C 113.082 0.378 . . . . 0.0 113.082 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.0 Cg_exo -78.01 149.29 25.54 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.044 2.496 . . . . 0.0 111.484 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.594 HD11 ' CH2' ' A' ' 39' ' ' TRP . 17.0 tp -77.84 146.69 72.78 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.564 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.495 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.4 Cg_exo -78.72 149.3 23.37 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.872 2.381 . . . . 0.0 112.162 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.322 2.015 . . . . 0.0 112.108 179.563 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.679 ' HB3' HG23 ' A' ' 32' ' ' THR . 70.1 mtp . . . . . 0 C--O 1.233 0.215 0 CA-C-O 121.033 0.444 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -132.21 163.6 28.21 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 2.2 p -130.91 145.67 52.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.954 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -104.62 125.43 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.145 0.497 . . . . 0.0 111.687 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -148.5 172.76 13.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.326 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 9.6 mtmp? -131.45 118.24 19.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 t -53.8 141.52 46.76 Favored Pre-proline 0 C--O 1.235 0.302 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.723 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.34 -19.14 62.84 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.1 2.533 . . . . 0.0 112.476 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.83 4.5 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.421 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.54 31.71 11.16 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.481 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -120.01 166.1 13.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.752 0.311 . . . . 0.0 110.784 -179.632 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.9 m -111.34 110.0 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.082 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -116.29 163.84 15.41 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.765 0.316 . . . . 0.0 111.333 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -133.21 152.21 51.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.482 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 22.4 t80 -111.01 129.54 55.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.786 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 34' ' ' THR . 64.0 t30 -93.1 106.52 18.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.413 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 16' ' ' MET . 10.0 t -86.26 6.15 31.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.755 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 36.1 tt0 -91.32 -67.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.1 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.428 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 24.9 m -78.04 -15.73 58.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.933 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 73.92 70.89 0.11 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.341 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -164.0 165.74 22.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.597 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.477 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 30.2 m -103.73 138.29 40.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 t -131.84 159.93 37.11 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.534 ' CH2' HD11 ' B' ' 8' ' ' LEU . 89.5 m95 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.476 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.42 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 6.1 Cg_exo . . . . . 0 N--CA 1.461 -0.385 0 CA-C-O 120.687 0.203 . . . . 0.0 112.282 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.84 149.37 26.14 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.534 HD11 ' CH2' ' A' ' 39' ' ' TRP . 15.6 tp -77.86 147.01 73.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.622 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.477 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 4.7 Cg_exo -78.74 149.26 23.27 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.787 2.324 . . . . 0.0 112.017 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo . . . . . 0 C--O 1.248 1.002 0 C-N-CA 122.276 1.984 . . . . 0.0 112.224 179.642 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.617 ' HB3' HG23 ' A' ' 32' ' ' THR . 24.4 mmt . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 92.0 m95 -130.13 155.01 46.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.366 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 73.2 p -129.15 141.07 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.923 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -104.64 128.08 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 112.12 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -147.5 172.57 13.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.902 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.27 130.61 52.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.744 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 41.2 t -60.68 147.88 83.12 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.41 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -48.81 -54.95 4.62 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.946 2.43 . . . . 0.0 113.335 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -50.05 -23.53 2.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.927 0.394 . . . . 0.0 111.074 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.5 42.47 0.81 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.474 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.744 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -114.08 165.79 12.27 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.556 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.1 m -105.59 104.03 13.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -113.12 163.79 14.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.879 0.371 . . . . 0.0 110.702 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -129.5 155.34 45.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.482 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 26.9 t80 -126.99 121.99 33.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.212 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.403 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 2.3 t-20 -85.25 116.75 23.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.617 HG23 ' HB3' ' A' ' 16' ' ' MET . 6.4 t -86.18 -3.77 59.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.621 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -85.06 -50.29 7.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.042 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.0 m -91.25 -17.51 25.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.139 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 70.41 65.35 0.2 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.841 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -160.02 165.13 32.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.59 147.45 27.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.653 178.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.5 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 12.6 t -142.56 157.18 44.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 112.11 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.546 ' CH2' HD11 ' B' ' 8' ' ' LEU . 90.4 m95 . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.282 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.461 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.7 Cg_exo . . . . . 0 C--O 1.234 0.298 0 N-CA-C 112.528 0.165 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.47 149.17 24.04 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.599 2.199 . . . . 0.0 112.235 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.546 HD11 ' CH2' ' A' ' 39' ' ' TRP . 14.6 tp -78.0 147.1 72.99 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.125 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.5 ' HG3' ' N ' ' A' ' 38' ' ' THR . 2.5 Cg_endo -78.85 149.37 23.02 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.598 2.199 . . . . 0.0 112.025 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.206 1.937 . . . . 0.0 112.21 179.625 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.468 ' N ' ' HE1' ' A' ' 17' ' ' TRP . 79.4 p . . . . . 0 N--CA 1.461 0.093 0 CA-C-O 120.884 0.373 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.622 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.1 OUTLIER 59.28 85.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.301 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.468 ' HE1' ' N ' ' A' ' 15' ' ' SER . 36.4 m95 -132.03 162.32 31.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 21.8 p -126.67 141.45 51.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.973 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -104.4 122.18 44.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 111.502 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -144.07 154.33 43.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.32 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -102.6 106.86 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.927 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' ARG . 28.1 t -44.26 130.08 4.6 Favored Pre-proline 0 C--O 1.233 0.214 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.606 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.48 -37.64 42.42 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.102 2.535 . . . . 0.0 113.204 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.59 -27.93 63.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.976 0.417 . . . . 0.0 110.284 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.406 ' O ' ' HD2' ' A' ' 26' ' ' ARG . . . 120.46 37.23 0.74 Allowed Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.805 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 8.5 mmm180 -127.5 167.19 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.619 0.247 . . . . 0.0 110.872 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.0 m -106.15 104.55 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.39 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -111.85 161.46 16.33 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.016 0.436 . . . . 0.0 111.534 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -130.1 147.63 51.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.811 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.502 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 32.9 t80 -120.23 122.56 41.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -79.16 114.17 17.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.673 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 16' ' ' MET . 8.2 t -92.39 7.55 42.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.35 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 9.9 tp10 -91.73 -31.67 15.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.069 0.462 . . . . 0.0 110.227 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.8 m -120.8 -13.61 8.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.083 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 72.03 62.51 0.13 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.842 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -142.38 161.93 36.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.55 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.47 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 16.0 m -105.01 138.23 41.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.403 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.9 t -139.7 155.26 47.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.95 0.405 . . . . 0.0 111.84 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.797 ' CH2' HD11 ' B' ' 8' ' ' LEU . 79.7 m95 -104.67 142.64 34.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.915 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 62.83 147.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.61 132.18 27.19 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.764 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.348 0.54 0 C-N-CA 122.545 2.163 . . . . 0.0 112.822 -179.739 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.463 -0.307 0 CA-C-O 120.498 0.124 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 97.7 Cg_endo -78.22 148.89 24.58 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.525 2.15 . . . . 0.0 112.798 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.7 Cg_exo -77.95 148.53 25.07 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.85 2.367 . . . . 0.0 111.901 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.797 HD11 ' CH2' ' A' ' 39' ' ' TRP . 8.3 tp -78.56 146.19 69.05 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.739 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 4.3 Cg_exo -79.55 149.48 21.25 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.086 2.524 . . . . 0.0 111.684 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 9' ' ' PRO . 15.5 Cg_exo . . . . . 0 C--O 1.25 1.078 0 C-N-CA 122.167 1.911 . . . . 0.0 112.02 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 121.058 0.456 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 32' ' ' THR . 24.9 mmt -122.0 59.32 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.355 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -137.31 156.16 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 38.0 p -116.48 143.16 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.67 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -104.37 124.66 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.54 . . . . 0.0 111.662 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -144.71 168.13 20.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.914 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -117.59 114.33 23.26 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 34.8 t -50.35 144.22 12.15 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.735 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 24.2 Cg_exo -62.68 -17.58 59.6 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.204 2.603 . . . . 0.0 112.918 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.5 13.18 7.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 110.133 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.88 38.48 19.57 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.018 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 6.7 mmm180 -124.02 167.11 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.672 0.272 . . . . 0.0 110.719 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.1 m -111.7 106.8 15.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.262 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -110.95 165.13 12.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.039 0.447 . . . . 0.0 111.506 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -131.69 156.08 46.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.518 ' CG ' ' HB3' ' B' ' 6' ' ' PRO . 30.4 t80 -128.05 126.94 42.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -80.07 117.47 20.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.373 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 16' ' ' MET . 9.4 t -86.95 -21.27 26.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.525 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -75.46 -48.79 21.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.665 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 m -88.98 -19.86 25.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.56 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mttp 67.94 66.33 0.36 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.719 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.11 165.71 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.667 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m -104.08 134.6 47.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.117 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 t -135.36 155.44 50.58 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.769 ' CH2' HD11 ' B' ' 8' ' ' LEU . 89.9 m95 -104.58 163.1 12.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.213 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 64.16 137.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.069 0.461 . . . . 0.0 111.422 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -67.33 135.23 93.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.946 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo . . . . . 0 C--N 1.349 0.601 0 C-N-CA 122.482 2.121 . . . . 0.0 112.314 179.811 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 73.5 Cg_endo . . . . . 0 N--CA 1.465 -0.2 0 CA-C-O 120.648 0.187 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.518 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.2 Cg_exo -78.14 149.14 25.01 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.141 2.561 . . . . 0.0 113.913 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.36 149.79 24.86 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.478 2.785 . . . . 0.0 111.639 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.769 HD11 ' CH2' ' A' ' 39' ' ' TRP . 6.0 tp -77.65 146.0 72.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.389 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.472 ' HB2' ' CD1' ' A' ' 39' ' ' TRP . 2.6 Cg_endo -79.82 149.4 20.54 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.923 2.416 . . . . 0.0 112.099 179.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.116 1.877 . . . . 0.0 112.248 179.514 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.884 0.373 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.617 ' HB2' ' HG3' ' A' ' 33' ' ' GLU . 47.5 mtt 62.67 67.89 0.68 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.071 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -127.8 165.06 20.84 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.479 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 65.6 p -128.93 138.0 51.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.304 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -104.67 129.66 52.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.839 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -147.59 162.26 39.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.387 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -118.31 111.04 18.23 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.612 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 23.0 t -52.84 143.99 28.08 Favored Pre-proline 0 C--O 1.235 0.301 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.847 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.43 -19.44 43.78 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.268 2.645 . . . . 0.0 112.879 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.2 11.61 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 110.262 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.57 33.23 39.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.737 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.612 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 23.5 mmt180 -117.28 165.84 12.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.643 0.259 . . . . 0.0 111.047 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.6 m -115.4 104.34 11.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.093 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -108.33 159.3 16.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.874 0.369 . . . . 0.0 111.198 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -128.43 152.91 47.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.489 ' CG ' ' HB3' ' B' ' 6' ' ' PRO . 20.6 t80 -130.86 124.68 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.715 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.491 ' ND2' ' H ' ' A' ' 33' ' ' GLU . 2.8 t-20 -85.85 132.74 34.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.425 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.532 HG23 ' HB3' ' A' ' 16' ' ' MET . 2.1 t -94.75 -11.12 29.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.707 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.617 ' HG3' ' HB2' ' A' ' 16' ' ' MET . 27.9 mt-10 -70.11 -65.3 0.74 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.983 0.42 . . . . 0.0 110.254 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.461 ' HB ' ' OE1' ' A' ' 36' ' ' GLN . 88.8 m -86.22 -15.35 41.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.12 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt 69.07 77.26 0.23 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.118 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 19.5 pm0 -154.49 161.43 41.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 0.0 111.237 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.2 m -107.72 139.84 41.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.001 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 15.0 t -143.86 161.85 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 112.019 -179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.766 ' CH2' HD11 ' B' ' 8' ' ' LEU . 97.2 m95 -104.09 164.86 11.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.063 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 65.6 138.0 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.124 0.488 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -66.76 140.54 96.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.263 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo . . . . . 0 N--CA 1.459 -0.534 0 C-N-CA 122.821 2.347 . . . . 0.0 112.164 179.628 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 72.5 Cg_endo . . . . . 0 N--CA 1.463 -0.289 0 CA-C-O 120.684 0.202 . . . . 0.0 112.618 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.489 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.2 Cg_exo -78.33 149.95 25.09 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.298 2.666 . . . . 0.0 112.75 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.6 Cg_exo -77.81 149.21 26.09 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.85 2.367 . . . . 0.0 111.736 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.766 HD11 ' CH2' ' A' ' 39' ' ' TRP . 7.9 tp -78.18 146.4 70.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.405 ' HG3' ' N ' ' A' ' 38' ' ' THR . 5.8 Cg_exo -79.2 149.05 21.84 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.731 2.287 . . . . 0.0 111.885 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo . . . . . 0 C--O 1.249 1.068 0 C-N-CA 122.206 1.938 . . . . 0.0 112.294 179.562 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.425 ' N ' ' HE1' ' A' ' 17' ' ' TRP . 64.1 m . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.68 0.276 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 32' ' ' THR . 23.5 mmt 58.19 96.4 0.02 OUTLIER 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.406 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.425 ' HE1' ' N ' ' A' ' 15' ' ' SER . 79.9 m95 -136.54 145.91 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.059 0.456 . . . . 0.0 111.89 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -104.59 136.55 43.91 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.295 178.263 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -104.63 122.08 44.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 111.753 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -146.5 165.55 29.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.296 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -117.54 114.66 23.77 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.402 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 30.7 t -53.74 141.83 45.22 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.325 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.62 -17.48 49.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.128 2.552 . . . . 0.0 112.739 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.23 11.6 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.038 0.447 . . . . 0.0 110.204 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.06 39.03 13.61 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.418 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 16.7 mmt180 -125.01 166.23 16.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 0.0 110.956 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.9 m -113.5 104.34 12.17 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -109.07 165.07 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.035 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 18' ' ' THR . 75.4 m-85 -132.01 155.37 48.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.898 0.38 . . . . 0.0 111.717 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' B' ' 6' ' ' PRO . 20.9 t80 -117.38 112.14 20.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.628 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -72.02 126.4 29.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.511 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -92.53 -17.62 24.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 0.0 111.657 -179.598 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.92 -53.62 17.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.85 0.357 . . . . 0.0 110.71 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.7 m -93.69 -10.34 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 62.6 65.98 0.8 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -153.49 166.36 32.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.024 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.453 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 23.7 m -103.94 139.6 38.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 t -142.85 164.87 28.91 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.358 0.599 . . . . 0.0 112.276 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.593 ' CH2' HD11 ' B' ' 8' ' ' LEU . 98.7 m95 -103.57 165.24 11.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 64.47 136.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.215 0.531 . . . . 0.0 111.572 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -72.63 130.32 85.77 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.88 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo . . . . . 0 C--N 1.349 0.567 0 C-N-CA 122.383 2.056 . . . . 0.0 112.279 179.768 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 4.6 Cg_exo . . . . . 0 CA--C 1.53 0.278 0 N-CA-C 112.771 0.258 . . . . 0.0 112.771 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.456 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 4.7 Cg_exo -77.78 151.08 27.84 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.211 2.607 . . . . 0.0 111.952 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.09 149.19 28.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.495 2.13 . . . . 0.0 111.861 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.593 HD11 ' CH2' ' A' ' 39' ' ' TRP . 16.5 tp -77.88 146.66 72.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.785 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.453 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 6.3 Cg_exo -78.87 149.16 22.82 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.883 2.389 . . . . 0.0 112.098 179.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.35 2.033 . . . . 0.0 112.24 179.433 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.151 0.5 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.596 ' HB3' HG23 ' A' ' 32' ' ' THR . 95.7 mmm -143.11 71.19 1.33 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.327 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -131.62 152.48 50.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.441 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.499 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 80.9 p -113.64 150.2 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.651 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -103.97 131.37 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.136 0.493 . . . . 0.0 112.095 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -150.04 166.62 29.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.955 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -123.44 115.75 22.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' ARG . 27.8 t -52.69 143.05 30.72 Favored Pre-proline 0 C--O 1.234 0.269 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.623 178.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.03 -22.65 64.85 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.223 2.615 . . . . 0.0 112.882 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.56 8.97 4.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 0.0 110.403 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.95 36.53 15.1 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.227 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 22' ' ' SER . 11.1 mmt180 -120.38 166.08 14.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.631 0.253 . . . . 0.0 110.742 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.0 m -110.49 104.96 13.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.278 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -110.75 163.44 13.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.79 0.329 . . . . 0.0 110.923 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -128.61 142.62 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.941 0.4 . . . . 0.0 111.554 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.499 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 26.7 t80 -112.46 108.51 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.281 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -64.69 121.92 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.529 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.596 HG23 ' HB3' ' A' ' 16' ' ' MET . 5.0 t -87.58 -7.83 57.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.073 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -83.12 -74.06 0.38 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.877 0.37 . . . . 0.0 110.251 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.0 m -69.36 -16.08 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.889 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 mttt 69.46 65.34 0.26 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.198 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -153.36 165.56 35.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.481 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.637 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 3.3 m -107.13 152.98 23.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.665 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.9 t -148.15 162.76 38.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 0.0 111.53 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.547 ' CH2' HD11 ' B' ' 8' ' ' LEU . 94.6 m95 -103.25 159.16 15.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.689 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 62.99 136.09 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.818 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -65.45 126.73 92.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.669 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo . . . . . 0 C--N 1.349 0.596 0 C-N-CA 122.432 2.088 . . . . 0.0 112.434 -179.785 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 2.8 Cg_exo . . . . . 0 CA--C 1.529 0.229 0 N-CA-C 111.247 -0.328 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 5' ' ' PRO . 6.4 Cg_exo -75.86 148.9 32.61 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.038 1.826 . . . . 0.0 111.816 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.407 ' O ' ' OG ' ' A' ' 37' ' ' SER . 91.4 Cg_endo -78.56 149.09 23.69 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.792 2.328 . . . . 0.0 113.326 -177.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.547 HD11 ' CH2' ' A' ' 39' ' ' TRP . 16.7 tp -78.37 147.36 72.09 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.966 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.637 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 2.5 Cg_endo -78.42 149.15 24.18 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.379 2.052 . . . . 0.0 111.941 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--O 1.249 1.061 0 C-N-CA 122.337 2.025 . . . . 0.0 112.162 179.662 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 16' ' ' MET . 49.6 m . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 120.562 0.22 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.47 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.4 OUTLIER 66.92 57.52 0.63 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.999 -179.766 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 89.9 m95 -133.54 140.9 47.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.323 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 20.8 p -110.83 142.31 43.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.934 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -104.39 130.7 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -147.74 155.41 41.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.624 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -110.79 108.06 17.78 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' ARG . 29.8 t -45.87 132.36 6.86 Favored Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.922 178.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 52.4 Cg_exo -52.24 -36.28 66.88 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.964 2.443 . . . . 0.0 112.805 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.44 -27.81 57.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 110.246 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.33 34.79 0.92 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.923 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.5 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 14.5 mmm180 -126.79 166.27 17.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.614 0.245 . . . . 0.0 110.595 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.4 m -107.6 104.3 13.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.244 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.427 ' CD1' ' HD3' ' B' ' 9' ' ' PRO . 6.7 p90 -106.49 163.28 13.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.935 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -133.49 154.56 50.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.484 . . . . 0.0 111.232 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.516 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 31.2 t80 -123.16 114.57 20.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.478 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 2.3 t-20 -77.61 119.63 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.47 HG23 ' HB3' ' A' ' 16' ' ' MET . 4.9 t -87.42 -14.21 41.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -73.09 -54.52 8.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.895 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.3 m -86.86 -22.32 25.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.03 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt 72.71 65.19 0.11 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.485 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -160.21 165.3 31.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 6.8 m -104.9 142.74 34.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.1 t -153.59 165.09 37.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.255 0.55 . . . . 0.0 111.989 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.793 ' CH2' HD11 ' B' ' 8' ' ' LEU . 96.4 m95 -104.19 102.34 12.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.901 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 39' ' ' TRP . 10.8 tp10 169.39 133.28 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.831 0.348 . . . . 0.0 111.159 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -91.9 127.92 47.88 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.35 0.61 0 C-N-CA 122.387 2.058 . . . . 0.0 112.228 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo . . . . . 0 CA--C 1.532 0.378 0 CA-C-O 120.439 0.1 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.84 149.62 26.36 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.867 2.378 . . . . 0.0 113.654 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.28 150.56 25.76 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.181 2.587 . . . . 0.0 111.581 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.793 HD11 ' CH2' ' A' ' 39' ' ' TRP . 7.1 tp -77.09 146.34 74.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.514 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.427 ' HD3' ' CD1' ' A' ' 28' ' ' TYR . 4.1 Cg_exo -79.05 149.18 22.29 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.129 2.552 . . . . 0.0 112.259 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo . . . . . 0 C--O 1.25 1.075 0 C-N-CA 122.221 1.947 . . . . 0.0 112.174 179.511 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.041 0.448 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.594 ' HB3' HG23 ' A' ' 32' ' ' THR . 53.7 mmm -127.18 68.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.966 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -133.12 160.5 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.04 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.561 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 39.8 p -127.26 146.69 50.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.429 177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -104.16 128.52 51.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -147.68 165.2 31.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.882 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -116.55 116.6 27.91 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.8 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.482 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 40.7 t -53.31 144.68 29.51 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.566 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.77 -17.46 50.25 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.905 2.404 . . . . 0.0 112.558 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.09 13.2 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.077 0.465 . . . . 0.0 109.915 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.01 36.05 36.99 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.184 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.482 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 18.3 mmt180 -118.07 166.12 12.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.651 0.262 . . . . 0.0 110.737 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -109.31 104.39 13.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.163 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -110.26 165.0 12.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.902 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -132.4 148.71 52.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.35 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.561 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 32.8 t80 -112.33 124.59 52.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.288 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -85.0 110.38 18.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.04 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.594 HG23 ' HB3' ' A' ' 16' ' ' MET . 4.7 t -82.84 -12.49 57.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.707 0.289 . . . . 0.0 111.315 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.416 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 12.0 tp10 -79.99 -63.03 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.349 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 m -76.52 -14.86 59.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.359 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt 66.28 67.74 0.45 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.305 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -159.93 165.52 31.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.816 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.9 m -104.4 136.17 44.47 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 7.5 t -138.45 161.73 36.27 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.574 0.702 . . . . 0.0 112.815 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.594 ' CH2' HD11 ' B' ' 8' ' ' LEU . 96.8 m95 -104.66 156.77 17.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.35 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 64.5 138.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.197 0.523 . . . . 0.0 111.64 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -68.55 135.43 90.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.695 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo . . . . . 0 C--N 1.35 0.638 0 C-N-CA 122.18 1.92 . . . . 0.0 112.559 -179.709 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo . . . . . 0 CA--C 1.528 0.176 0 N-CA-C 111.926 -0.067 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.14 150.34 33.27 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.595 2.197 . . . . 0.0 112.041 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -77.78 149.55 26.5 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.839 2.359 . . . . 0.0 112.497 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.594 HD11 ' CH2' ' A' ' 39' ' ' TRP . 14.0 tp -77.88 146.32 71.89 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.411 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.41 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.2 Cg_exo -79.32 149.34 21.75 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.749 2.299 . . . . 0.0 111.67 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--O 1.25 1.083 0 C-N-CA 122.181 1.921 . . . . 0.0 112.157 179.547 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' MET . 8.7 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.649 0.261 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.567 ' HB3' HG23 ' A' ' 32' ' ' THR . 63.0 mtt 69.91 62.64 0.25 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.356 0.598 . . . . 0.0 110.243 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.453 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 80.0 m95 -127.95 155.83 43.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.39 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 81.6 p -120.65 141.48 50.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.206 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.8 125.62 51.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 111.684 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -143.7 168.44 19.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.346 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -116.76 110.66 18.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.402 ' HB2' HD11 ' B' ' 8' ' ' LEU . 43.7 t -50.31 136.08 23.25 Favored Pre-proline 0 C--O 1.235 0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.713 178.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -46.02 -47.45 14.39 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.048 2.499 . . . . 0.0 112.871 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.63 -30.47 8.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.048 0.452 . . . . 0.0 110.551 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.69 41.89 0.55 Allowed Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.017 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.521 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 19.1 mmt180 -125.85 165.78 18.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.758 0.313 . . . . 0.0 111.075 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.3 m -105.49 104.45 14.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.961 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -112.08 165.14 12.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.22 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -130.52 149.43 52.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.997 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.502 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 18.4 t80 -122.64 123.55 41.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 3.3 t-20 -80.69 125.35 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.567 HG23 ' HB3' ' A' ' 16' ' ' MET . 5.1 t -95.34 -1.48 51.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.654 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -65.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.086 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.437 HG22 ' OD1' ' A' ' 31' ' ' ASN . 10.2 t -95.34 -8.15 36.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.445 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm 71.03 78.64 0.17 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.244 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HB2' HE21 ' A' ' 36' ' ' GLN . 0.0 OUTLIER -155.16 162.03 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 179.776 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.7 m -104.85 133.62 49.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.765 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.419 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 7.8 t -132.9 159.5 39.73 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.192 0.52 . . . . 0.0 111.879 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.567 ' CH2' HD11 ' B' ' 8' ' ' LEU . 79.6 m95 -104.6 143.66 32.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.655 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 64.11 141.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.222 0.534 . . . . 0.0 111.379 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -56.64 137.4 77.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.87 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo . . . . . 0 C--N 1.348 0.54 0 C-N-CA 122.577 2.185 . . . . 0.0 112.522 -179.841 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 72.0 Cg_endo . . . . . 0 N--CA 1.463 -0.275 0 CA-C-O 120.449 0.104 . . . . 0.0 112.239 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.463 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.1 Cg_exo -77.48 149.65 27.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.769 2.313 . . . . 0.0 112.188 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.408 ' HD2' ' CE2' ' A' ' 30' ' ' TYR . 72.6 Cg_endo -77.98 149.16 25.52 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.524 2.149 . . . . 0.0 112.155 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.567 HD11 ' CH2' ' A' ' 39' ' ' TRP . 21.1 tp -77.85 146.45 72.28 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.553 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.419 ' HG3' ' N ' ' A' ' 38' ' ' THR . 4.3 Cg_exo -79.25 149.29 21.87 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.801 2.334 . . . . 0.0 111.842 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.185 1.924 . . . . 0.0 112.129 179.614 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.494 ' N ' ' HE1' ' A' ' 17' ' ' TRP . 22.7 t . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.657 0.265 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.513 ' HB3' HG23 ' A' ' 32' ' ' THR . 1.6 mpt? 66.84 71.93 0.37 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.66 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.494 ' HE1' ' N ' ' A' ' 15' ' ' SER . 17.9 m95 -138.41 158.9 43.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.226 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.534 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 36.3 p -119.49 141.72 48.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.458 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -104.06 127.68 51.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 0.0 112.06 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -147.16 169.87 18.4 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.214 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -119.92 108.49 14.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 26' ' ' ARG . 45.3 t -49.15 132.47 16.17 Favored Pre-proline 0 C--O 1.234 0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.57 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -50.92 -35.86 51.1 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.08 2.52 . . . . 0.0 112.688 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.44 -31.36 55.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.047 0.451 . . . . 0.0 109.944 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.04 33.24 0.8 Allowed Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.333 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.514 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 10.1 mmt180 -127.45 165.77 19.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.743 0.306 . . . . 0.0 111.07 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.0 m -105.58 108.22 19.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.973 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -109.68 165.26 11.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.942 0.401 . . . . 0.0 111.505 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -130.76 137.97 49.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.534 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 30.6 t80 -108.26 117.44 34.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.34 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -71.79 121.53 19.1 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 16' ' ' MET . 7.5 t -93.86 -5.81 47.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.963 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.63 -66.69 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.155 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.3 m -79.15 -16.4 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 71.55 68.68 0.16 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.928 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -156.44 166.59 32.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.676 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 m -103.27 137.08 41.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.255 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 13.9 t -140.03 159.22 42.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.289 0.566 . . . . 0.0 112.224 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.591 ' CH2' HD11 ' B' ' 8' ' ' LEU . 94.7 m95 -104.02 163.32 12.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 62.84 139.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.618 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -60.48 112.37 5.47 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.657 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo . . . . . 0 C--N 1.346 0.446 0 C-N-CA 122.596 2.197 . . . . 0.0 112.771 -179.787 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 4.1 Cg_exo . . . . . 0 CA--C 1.529 0.272 0 N-CA-C 112.735 0.244 . . . . 0.0 112.735 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 5.6 Cg_exo -76.84 150.43 30.46 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.001 2.468 . . . . 0.0 111.944 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 6.3 Cg_exo -77.03 149.16 28.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.867 2.378 . . . . 0.0 112.235 -178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.591 HD11 ' CH2' ' A' ' 39' ' ' TRP . 17.5 tp -78.08 146.39 71.28 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.802 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.424 ' HG3' ' N ' ' A' ' 38' ' ' THR . 6.3 Cg_exo -79.19 149.4 22.1 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.068 2.512 . . . . 0.0 112.2 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 122.226 1.95 . . . . 0.0 112.063 179.455 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 16' ' ' MET . 46.6 m . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.654 0.264 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 15' ' ' SER . 25.0 mmt 70.26 56.71 0.28 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.219 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.427 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 90.0 m95 -141.85 149.08 39.83 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.611 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.54 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 43.2 p -119.26 148.16 43.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.657 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.18 131.16 51.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.18 0.514 . . . . 0.0 112.244 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -149.84 170.7 18.16 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.972 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -127.4 118.19 23.62 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.7 t -53.59 141.88 43.43 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.589 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.18 -17.39 38.68 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.239 2.626 . . . . 0.0 112.821 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -85.09 14.2 5.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.06 0.457 . . . . 0.0 110.18 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.84 32.57 40.11 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.18 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 6.8 mtt180 -115.51 165.63 12.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.739 0.304 . . . . 0.0 110.756 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 m -111.13 110.01 20.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.278 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -118.92 162.48 18.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 111.091 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -130.79 152.52 50.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.18 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.54 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 31.5 t80 -114.78 119.18 35.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.36 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.464 ' ND2' ' H ' ' A' ' 34' ' ' THR . 59.8 t30 -80.13 122.74 27.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.656 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.415 HG23 ' HB3' ' A' ' 16' ' ' MET . 8.6 t -94.86 -11.25 29.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.94 -60.4 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.171 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.464 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 28.7 m -88.61 -17.48 30.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.157 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.3 mttm 72.27 67.46 0.13 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.994 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -154.83 165.36 36.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.609 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.483 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 19.4 m -104.64 139.69 39.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.225 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.44 165.5 27.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.214 0.53 . . . . 0.0 112.123 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.613 ' CH2' HD11 ' B' ' 8' ' ' LEU . 99.6 m95 -103.75 165.59 10.94 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.881 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 65.91 142.46 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.658 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 42' ' ' PRO . 9.3 mtpm? -54.32 130.03 60.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.546 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 41' ' ' LYS . 59.2 Cg_endo . . . . . 0 N--CA 1.456 -0.707 0 C-N-CA 123.418 2.745 . . . . 0.0 112.726 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 2.7 Cg_exo . . . . . 0 N--CA 1.463 -0.284 0 CA-C-O 120.549 0.145 . . . . 0.0 112.46 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.457 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 3.8 Cg_exo -77.4 150.98 29.04 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.104 2.536 . . . . 0.0 112.393 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.04 149.18 28.42 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.559 2.173 . . . . 0.0 111.882 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.613 HD11 ' CH2' ' A' ' 39' ' ' TRP . 16.7 tp -77.74 146.74 73.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.073 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.483 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 5.8 Cg_exo -78.81 149.11 22.96 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.254 2.636 . . . . 0.0 112.265 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo . . . . . 0 C--O 1.25 1.12 0 C-N-CA 122.305 2.003 . . . . 0.0 112.313 179.207 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.0 p . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.524 0.202 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.639 ' HB3' HG23 ' A' ' 32' ' ' THR . 23.8 mmt 69.98 57.84 0.29 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.208 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -130.59 162.07 30.14 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.5 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 44.2 p -135.12 144.08 46.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.304 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -104.5 122.29 45.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.147 0.498 . . . . 0.0 111.854 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -141.99 164.8 29.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.871 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -116.53 117.35 29.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.662 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 32.2 t -53.18 144.12 30.58 Favored Pre-proline 0 C--O 1.234 0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.024 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 48.6 Cg_exo -55.61 -40.07 87.49 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.244 2.629 . . . . 0.0 113.32 -178.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.483 ' HB3' ' NE ' ' A' ' 26' ' ' ARG . 16.4 t70 -59.9 -15.43 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.754 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.51 41.11 1.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.329 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.662 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 0.1 OUTLIER -122.88 166.4 15.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 0.0 111.297 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -112.14 104.2 12.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.327 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -110.23 165.63 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.72 138.35 48.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.273 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.5 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 39.5 t80 -107.81 127.5 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.324 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 34' ' ' THR . 53.2 t30 -93.75 114.41 26.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 16' ' ' MET . 7.4 t -83.69 -4.91 59.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.545 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 9.0 tp10 -79.2 -58.32 3.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.982 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.505 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 46.3 m -87.27 -15.14 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.981 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 1.3 mmmp? 68.05 60.43 0.42 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.425 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -150.57 165.17 34.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.936 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 m -109.6 139.25 44.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.892 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 7.7 t -140.36 162.66 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.167 0.508 . . . . 0.0 112.011 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.592 ' CH2' HD11 ' B' ' 8' ' ' LEU . 98.8 m95 -102.99 157.18 17.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.377 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 64.18 137.03 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -66.7 130.34 94.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.047 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo . . . . . 0 C--N 1.349 0.594 0 C-N-CA 122.467 2.111 . . . . 0.0 112.066 179.654 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 6.1 Cg_exo . . . . . 0 N--CA 1.463 -0.281 0 N-CA-C 112.516 0.16 . . . . 0.0 112.516 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 6.5 Cg_exo -76.9 150.4 30.19 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.855 2.37 . . . . 0.0 111.839 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 6.0 Cg_exo -76.94 149.02 28.61 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.817 2.345 . . . . 0.0 112.284 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.592 HD11 ' CH2' ' A' ' 39' ' ' TRP . 17.5 tp -78.33 146.99 71.6 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.411 ' HG3' ' N ' ' A' ' 38' ' ' THR . 5.6 Cg_exo -78.58 149.03 23.6 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.662 2.241 . . . . 0.0 111.793 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.228 1.952 . . . . 0.0 112.384 179.713 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' MET . 17.0 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.677 0.275 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.469 ' O ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER 71.44 61.5 0.16 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.549 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -131.03 145.06 51.91 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.421 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 77.2 p -107.24 145.02 33.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.275 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -104.3 126.7 51.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.994 0.426 . . . . 0.0 111.731 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -143.96 160.67 40.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.126 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' NZ ' ' HA2' ' A' ' 25' ' ' GLY . 63.6 tttm -112.27 105.34 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' ARG . 47.3 t -47.65 140.38 8.03 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -60.35 -18.31 52.2 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.271 2.647 . . . . 0.0 112.871 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.13 15.4 2.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.979 0.418 . . . . 0.0 110.302 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' HA2' ' NZ ' ' A' ' 21' ' ' LYS . . . 76.6 33.72 46.57 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.04 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -122.71 165.92 15.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.297 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.4 m -111.6 106.71 15.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.273 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -111.46 163.08 14.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 111.089 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -128.98 152.47 48.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.506 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 21.4 t80 -125.1 115.26 20.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.763 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -72.94 126.91 31.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.124 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 16' ' ' MET . 3.3 t -86.1 -33.63 20.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.747 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.05 -61.77 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.556 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.0 m -71.78 -19.92 61.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.285 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.7 mttp 61.14 71.28 0.57 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.572 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.475 HE21 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -159.13 165.07 34.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.005 -179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -104.63 131.37 52.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.753 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.413 ' HB ' ' OE1' ' A' ' 36' ' ' GLN . 11.7 t -131.37 157.54 43.13 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.105 0.478 . . . . 0.0 111.913 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.754 ' CH2' HD11 ' B' ' 8' ' ' LEU . 87.6 m95 -104.04 150.44 24.27 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.616 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 63.39 148.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.711 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -47.74 143.03 6.33 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.028 179.606 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo . . . . . 0 C--N 1.348 0.506 0 C-N-CA 122.51 2.14 . . . . 0.0 112.339 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.488 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 4.8 Cg_exo . . . . . 0 CA--C 1.527 0.171 0 N-CA-C 112.355 0.098 . . . . 0.0 112.355 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' B' ' 5' ' ' PRO . 6.8 Cg_exo -76.08 149.94 33.03 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.712 2.275 . . . . 0.0 111.581 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.98 149.02 25.4 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.575 2.184 . . . . 0.0 113.094 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.754 HD11 ' CH2' ' A' ' 39' ' ' TRP . 8.7 tp -78.32 147.07 71.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.23 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 5.8 Cg_exo -78.59 149.07 23.6 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.735 2.29 . . . . 0.0 112.025 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 9' ' ' PRO . 3.3 Cg_exo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.535 2.157 . . . . 0.0 111.974 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' MET . 68.2 m . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.525 0.202 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.555 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER 68.22 68.48 0.33 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.241 0.543 . . . . 0.0 111.256 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.484 ' CZ2' ' HG3' ' A' ' 42' ' ' PRO . 45.7 m95 -132.07 155.32 48.3 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.741 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.489 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 75.0 p -117.58 143.18 46.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.105 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -104.45 127.35 52.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.988 0.423 . . . . 0.0 111.789 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -146.96 166.6 26.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.28 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' NZ ' ' HB3' ' A' ' 21' ' ' LYS . 3.4 ttpm? -114.59 108.26 16.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 39.5 t -49.95 139.96 16.62 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.428 178.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.98 -19.56 56.11 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.287 2.658 . . . . 0.0 112.815 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.33 9.75 5.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.951 0.405 . . . . 0.0 110.384 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.41 34.63 22.48 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.162 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.448 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 15.0 mmt180 -122.76 165.99 15.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.0 m -109.53 104.8 13.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.583 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -110.0 163.14 13.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.267 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -131.81 142.41 49.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.943 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.489 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 27.8 t80 -114.72 119.36 36.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.52 125.93 29.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.248 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.555 HG23 ' HB3' ' A' ' 16' ' ' MET . 3.7 t -90.46 -9.37 47.65 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.3 -65.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.097 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.6 m -80.75 -18.24 48.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.075 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 72.75 64.17 0.11 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.569 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -147.53 165.55 30.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.526 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.7 143.34 32.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.476 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.495 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 15.1 t -143.59 159.69 42.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.04 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.594 ' CH2' HD11 ' B' ' 8' ' ' LEU . 99.3 m95 -104.01 132.44 50.26 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.076 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 64.64 136.92 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.074 0.464 . . . . 0.0 111.551 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -67.12 153.2 95.08 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 69.1 Cg_endo . . . . . 0 C--N 1.349 0.587 0 C-N-CA 123.017 2.478 . . . . 0.0 112.704 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 3.7 Cg_exo . . . . . 0 N--CA 1.462 -0.328 0 CA-C-O 120.657 0.191 . . . . 0.0 112.538 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 3.6 Cg_exo -78.42 149.78 24.68 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.45 2.766 . . . . 0.0 113.082 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.0 Cg_exo -78.01 149.29 25.54 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.044 2.496 . . . . 0.0 111.484 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.594 HD11 ' CH2' ' A' ' 39' ' ' TRP . 17.0 tp -77.84 146.69 72.78 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.564 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.495 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.4 Cg_exo -78.72 149.3 23.37 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.872 2.381 . . . . 0.0 112.162 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.322 2.015 . . . . 0.0 112.108 179.563 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.232 0.143 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.679 ' HB3' HG23 ' A' ' 32' ' ' THR . 70.1 mtp 70.03 60.77 0.25 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.033 0.444 . . . . 0.0 111.023 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -132.21 163.6 28.21 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 2.2 p -130.91 145.67 52.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.954 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -104.62 125.43 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.145 0.497 . . . . 0.0 111.687 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -148.5 172.76 13.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.326 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 9.6 mtmp? -131.45 118.24 19.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 t -53.8 141.52 46.76 Favored Pre-proline 0 C--O 1.235 0.302 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.723 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.34 -19.14 62.84 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.1 2.533 . . . . 0.0 112.476 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.83 4.5 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.421 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.54 31.71 11.16 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.481 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -120.01 166.1 13.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.752 0.311 . . . . 0.0 110.784 -179.632 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.9 m -111.34 110.0 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.082 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -116.29 163.84 15.41 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.765 0.316 . . . . 0.0 111.333 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -133.21 152.21 51.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.482 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 22.4 t80 -111.01 129.54 55.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.786 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 34' ' ' THR . 64.0 t30 -93.1 106.52 18.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.413 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 16' ' ' MET . 10.0 t -86.26 6.15 31.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.755 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 36.1 tt0 -91.32 -67.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.1 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.428 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 24.9 m -78.04 -15.73 58.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.933 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 73.92 70.89 0.11 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.341 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -164.0 165.74 22.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.597 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.477 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 30.2 m -103.73 138.29 40.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 t -131.84 159.93 37.11 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.534 ' CH2' HD11 ' B' ' 8' ' ' LEU . 89.5 m95 -104.09 156.57 17.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.476 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 62.7 147.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.51 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -48.8 137.96 12.72 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.103 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo . . . . . 0 C--N 1.349 0.555 0 C-N-CA 122.537 2.158 . . . . 0.0 112.489 -179.805 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo . . . . . 0 N--CA 1.463 -0.287 0 CA-C-O 120.371 0.071 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.42 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 6.1 Cg_exo -77.47 150.42 28.28 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.82 2.347 . . . . 0.0 112.282 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.84 149.37 26.14 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.534 HD11 ' CH2' ' A' ' 39' ' ' TRP . 15.6 tp -77.86 147.01 73.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.622 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.477 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 4.7 Cg_exo -78.74 149.26 23.27 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.787 2.324 . . . . 0.0 112.017 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo . . . . . 0 C--O 1.248 1.002 0 C-N-CA 122.276 1.984 . . . . 0.0 112.224 179.642 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.373 0.13 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.617 ' HB3' HG23 ' A' ' 32' ' ' THR . 24.4 mmt 63.7 56.65 1.51 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 110.185 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 92.0 m95 -130.13 155.01 46.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.366 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 73.2 p -129.15 141.07 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.923 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -104.64 128.08 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 112.12 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -147.5 172.57 13.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.902 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.27 130.61 52.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.744 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 41.2 t -60.68 147.88 83.12 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.41 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -48.81 -54.95 4.62 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.946 2.43 . . . . 0.0 113.335 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -50.05 -23.53 2.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.927 0.394 . . . . 0.0 111.074 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.5 42.47 0.81 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.474 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.744 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -114.08 165.79 12.27 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.556 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.1 m -105.59 104.03 13.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -113.12 163.79 14.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.879 0.371 . . . . 0.0 110.702 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -129.5 155.34 45.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.482 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 26.9 t80 -126.99 121.99 33.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.212 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 2.3 t-20 -85.25 116.75 23.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.617 HG23 ' HB3' ' A' ' 16' ' ' MET . 6.4 t -86.18 -3.77 59.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.621 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -85.06 -50.29 7.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.042 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 36.0 m -91.25 -17.51 25.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.139 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 70.41 65.35 0.2 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.841 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -160.02 165.13 32.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.59 147.45 27.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.653 178.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.5 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 12.6 t -142.56 157.18 44.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 112.11 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.546 ' CH2' HD11 ' B' ' 8' ' ' LEU . 90.4 m95 -103.5 157.89 16.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.282 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 63.13 139.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.158 0.504 . . . . 0.0 111.409 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -58.4 127.69 81.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo . . . . . 0 C--N 1.349 0.553 0 C-N-CA 122.559 2.173 . . . . 0.0 112.092 179.844 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 6.0 Cg_exo . . . . . 0 N--CA 1.463 -0.275 0 N-CA-C 111.951 -0.057 . . . . 0.0 111.951 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.461 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.7 Cg_exo -77.93 149.33 25.83 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.799 2.333 . . . . 0.0 112.528 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.47 149.17 24.04 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.599 2.199 . . . . 0.0 112.235 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.546 HD11 ' CH2' ' A' ' 39' ' ' TRP . 14.6 tp -78.0 147.1 72.99 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.125 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.5 ' HG3' ' N ' ' A' ' 38' ' ' THR . 2.5 Cg_endo -78.85 149.37 23.02 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.598 2.199 . . . . 0.0 112.025 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.206 1.937 . . . . 0.0 112.21 179.625 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.622 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.92 0.39 . . . . 0.0 111.301 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -132.03 162.32 31.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.851 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 21.8 p -126.67 141.45 51.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.973 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -104.4 122.18 44.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 111.502 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -144.07 154.33 43.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.32 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -102.6 106.86 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.927 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' ARG . 28.1 t -44.26 130.08 4.6 Favored Pre-proline 0 C--O 1.233 0.214 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.606 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.48 -37.64 42.42 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.102 2.535 . . . . 0.0 113.204 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.59 -27.93 63.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.976 0.417 . . . . 0.0 110.284 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.406 ' O ' ' HD2' ' A' ' 26' ' ' ARG . . . 120.46 37.23 0.74 Allowed Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.805 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 8.5 mmm180 -127.5 167.19 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.619 0.247 . . . . 0.0 110.872 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.0 m -106.15 104.55 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.39 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -111.85 161.46 16.33 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.016 0.436 . . . . 0.0 111.534 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -130.1 147.63 51.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.811 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.502 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 32.9 t80 -120.23 122.56 41.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -79.16 114.17 17.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.673 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 16' ' ' MET . 8.2 t -92.39 7.55 42.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.35 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 9.9 tp10 -91.73 -31.67 15.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.069 0.462 . . . . 0.0 110.227 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.8 m -120.8 -13.61 8.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.083 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 72.03 62.51 0.13 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.842 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -142.38 161.93 36.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.55 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.47 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 16.0 m -105.01 138.23 41.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.403 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.9 t -139.7 155.26 47.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.95 0.405 . . . . 0.0 111.84 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.797 ' CH2' HD11 ' B' ' 8' ' ' LEU . 79.7 m95 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.915 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 97.7 Cg_endo . . . . . 0 C--O 1.233 0.242 0 N-CA-C 112.798 0.268 . . . . 0.0 112.798 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.7 Cg_exo -77.95 148.53 25.07 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.85 2.367 . . . . 0.0 111.901 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.797 HD11 ' CH2' ' A' ' 39' ' ' TRP . 8.3 tp -78.56 146.19 69.05 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.739 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 4.3 Cg_exo -79.55 149.48 21.25 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.086 2.524 . . . . 0.0 111.684 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 9' ' ' PRO . 15.5 Cg_exo . . . . . 0 C--O 1.25 1.078 0 C-N-CA 122.167 1.911 . . . . 0.0 112.02 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 32' ' ' THR . 24.9 mmt . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.887 0.375 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -137.31 156.16 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 38.0 p -116.48 143.16 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.67 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -104.37 124.66 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.54 . . . . 0.0 111.662 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -144.71 168.13 20.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.914 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -117.59 114.33 23.26 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 34.8 t -50.35 144.22 12.15 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.735 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 24.2 Cg_exo -62.68 -17.58 59.6 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.204 2.603 . . . . 0.0 112.918 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.5 13.18 7.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 110.133 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.88 38.48 19.57 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.018 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.464 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 6.7 mmm180 -124.02 167.11 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.672 0.272 . . . . 0.0 110.719 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.1 m -111.7 106.8 15.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.262 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -110.95 165.13 12.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.039 0.447 . . . . 0.0 111.506 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -131.69 156.08 46.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.518 ' CG ' ' HB3' ' B' ' 6' ' ' PRO . 30.4 t80 -128.05 126.94 42.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -80.07 117.47 20.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.373 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 16' ' ' MET . 9.4 t -86.95 -21.27 26.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.525 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -75.46 -48.79 21.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.665 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 m -88.98 -19.86 25.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.56 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mttp 67.94 66.33 0.36 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.719 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.11 165.71 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.667 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m -104.08 134.6 47.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.117 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 t -135.36 155.44 50.58 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.769 ' CH2' HD11 ' B' ' 8' ' ' LEU . 89.9 m95 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.213 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.518 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.2 Cg_exo . . . . . 0 CA--C 1.53 0.316 0 N-CA-C 113.913 0.697 . . . . 0.0 113.913 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.36 149.79 24.86 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.478 2.785 . . . . 0.0 111.639 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.769 HD11 ' CH2' ' A' ' 39' ' ' TRP . 6.0 tp -77.65 146.0 72.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.389 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.472 ' HB2' ' CD1' ' A' ' 39' ' ' TRP . 2.6 Cg_endo -79.82 149.4 20.54 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.923 2.416 . . . . 0.0 112.099 179.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.116 1.877 . . . . 0.0 112.248 179.514 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.617 ' HB2' ' HG3' ' A' ' 33' ' ' GLU . 47.5 mtt . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.107 0.479 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -127.8 165.06 20.84 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.479 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 65.6 p -128.93 138.0 51.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.304 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -104.67 129.66 52.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.839 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -147.59 162.26 39.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.387 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -118.31 111.04 18.23 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.612 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 23.0 t -52.84 143.99 28.08 Favored Pre-proline 0 C--O 1.235 0.301 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.847 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.43 -19.44 43.78 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.268 2.645 . . . . 0.0 112.879 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.2 11.61 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 110.262 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.57 33.23 39.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.737 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.612 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 23.5 mmt180 -117.28 165.84 12.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.643 0.259 . . . . 0.0 111.047 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.6 m -115.4 104.34 11.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.093 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -108.33 159.3 16.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.874 0.369 . . . . 0.0 111.198 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -128.43 152.91 47.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.489 ' CG ' ' HB3' ' B' ' 6' ' ' PRO . 20.6 t80 -130.86 124.68 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.715 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.521 HD22 HE22 ' A' ' 36' ' ' GLN . 45.0 t30 -85.85 132.74 34.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.425 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.532 HG23 ' HB3' ' A' ' 16' ' ' MET . 2.1 t -94.75 -11.12 29.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.707 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.617 ' HG3' ' HB2' ' A' ' 16' ' ' MET . 27.9 mt-10 -70.11 -65.3 0.74 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.983 0.42 . . . . 0.0 110.254 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.461 ' HB ' ' OE1' ' A' ' 36' ' ' GLN . 88.8 m -86.22 -15.35 41.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.12 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt 69.07 77.26 0.23 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.118 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.521 HE22 HD22 ' A' ' 31' ' ' ASN . 19.5 pm0 -154.49 161.43 41.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 0.0 111.237 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.2 m -107.72 139.84 41.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.001 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 15.0 t -143.86 161.85 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 112.019 -179.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.766 ' CH2' HD11 ' B' ' 8' ' ' LEU . 97.2 m95 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.063 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.489 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.2 Cg_exo . . . . . 0 N--CA 1.463 -0.278 0 N-CA-C 112.75 0.25 . . . . 0.0 112.75 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.6 Cg_exo -77.81 149.21 26.09 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.85 2.367 . . . . 0.0 111.736 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.766 HD11 ' CH2' ' A' ' 39' ' ' TRP . 7.9 tp -78.18 146.4 70.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.405 ' HG3' ' N ' ' A' ' 38' ' ' THR . 5.8 Cg_exo -79.2 149.05 21.84 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.731 2.287 . . . . 0.0 111.885 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo . . . . . 0 C--O 1.249 1.068 0 C-N-CA 122.206 1.938 . . . . 0.0 112.294 179.562 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 32' ' ' THR . 23.5 mmt . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.846 0.355 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -136.54 145.91 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.059 0.456 . . . . 0.0 111.89 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -104.59 136.55 43.91 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.295 178.263 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -104.63 122.08 44.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 111.753 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -146.5 165.55 29.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.296 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -117.54 114.66 23.77 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.402 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 30.7 t -53.74 141.83 45.22 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.325 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.62 -17.48 49.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.128 2.552 . . . . 0.0 112.739 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.23 11.6 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.038 0.447 . . . . 0.0 110.204 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.06 39.03 13.61 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.418 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 16.7 mmt180 -125.01 166.23 16.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 0.0 110.956 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.9 m -113.5 104.34 12.17 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -109.07 165.07 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.035 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 18' ' ' THR . 75.4 m-85 -132.01 155.37 48.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.898 0.38 . . . . 0.0 111.717 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' B' ' 6' ' ' PRO . 20.9 t80 -117.38 112.14 20.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.628 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -72.02 126.4 29.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.511 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -92.53 -17.62 24.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 0.0 111.657 -179.598 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.92 -53.62 17.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.85 0.357 . . . . 0.0 110.71 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.7 m -93.69 -10.34 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 62.6 65.98 0.8 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -153.49 166.36 32.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.024 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.453 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 23.7 m -103.94 139.6 38.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 t -142.85 164.87 28.91 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.358 0.599 . . . . 0.0 112.276 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.593 ' CH2' HD11 ' B' ' 8' ' ' LEU . 98.7 m95 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.456 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 4.7 Cg_exo . . . . . 0 N--CA 1.462 -0.341 0 CA-C-O 120.492 0.122 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.09 149.19 28.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.495 2.13 . . . . 0.0 111.861 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.593 HD11 ' CH2' ' A' ' 39' ' ' TRP . 16.5 tp -77.88 146.66 72.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.785 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.453 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 6.3 Cg_exo -78.87 149.16 22.82 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.883 2.389 . . . . 0.0 112.098 179.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.35 2.033 . . . . 0.0 112.24 179.433 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.596 ' HB3' HG23 ' A' ' 32' ' ' THR . 95.7 mmm . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.852 0.358 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -131.62 152.48 50.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.441 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.499 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 80.9 p -113.64 150.2 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.651 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -103.97 131.37 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.136 0.493 . . . . 0.0 112.095 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -150.04 166.62 29.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.955 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -123.44 115.75 22.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' ARG . 27.8 t -52.69 143.05 30.72 Favored Pre-proline 0 C--O 1.234 0.269 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.623 178.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.03 -22.65 64.85 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.223 2.615 . . . . 0.0 112.882 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.56 8.97 4.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 0.0 110.403 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.95 36.53 15.1 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.227 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 22' ' ' SER . 11.1 mmt180 -120.38 166.08 14.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.631 0.253 . . . . 0.0 110.742 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.0 m -110.49 104.96 13.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.278 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -110.75 163.44 13.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.79 0.329 . . . . 0.0 110.923 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -128.61 142.62 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.941 0.4 . . . . 0.0 111.554 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.499 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 26.7 t80 -112.46 108.51 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.281 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -64.69 121.92 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.529 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.596 HG23 ' HB3' ' A' ' 16' ' ' MET . 5.0 t -87.58 -7.83 57.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.073 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -83.12 -74.06 0.38 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.877 0.37 . . . . 0.0 110.251 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.0 m -69.36 -16.08 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.889 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 mttt 69.46 65.34 0.26 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.198 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -153.36 165.56 35.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.481 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.637 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 3.3 m -107.13 152.98 23.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.665 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.9 t -148.15 162.76 38.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 0.0 111.53 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.547 ' CH2' HD11 ' B' ' 8' ' ' LEU . 94.6 m95 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.689 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo . . . . . 0 CA--C 1.53 0.288 0 CA-C-O 120.628 0.178 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.407 ' O ' ' OG ' ' A' ' 37' ' ' SER . 91.4 Cg_endo -78.56 149.09 23.69 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.792 2.328 . . . . 0.0 113.326 -177.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.547 HD11 ' CH2' ' A' ' 39' ' ' TRP . 16.7 tp -78.37 147.36 72.09 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.966 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.637 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 2.5 Cg_endo -78.42 149.15 24.18 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.379 2.052 . . . . 0.0 111.941 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--O 1.249 1.061 0 C-N-CA 122.337 2.025 . . . . 0.0 112.162 179.662 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.47 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.969 0.414 . . . . 0.0 110.999 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 89.9 m95 -133.54 140.9 47.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.323 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 20.8 p -110.83 142.31 43.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.934 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -104.39 130.7 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -147.74 155.41 41.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.624 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -110.79 108.06 17.78 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' ARG . 29.8 t -45.87 132.36 6.86 Favored Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.922 178.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 52.4 Cg_exo -52.24 -36.28 66.88 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.964 2.443 . . . . 0.0 112.805 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.44 -27.81 57.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 110.246 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.33 34.79 0.92 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.923 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.5 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 14.5 mmm180 -126.79 166.27 17.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.614 0.245 . . . . 0.0 110.595 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.4 m -107.6 104.3 13.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.244 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.427 ' CD1' ' HD3' ' B' ' 9' ' ' PRO . 6.7 p90 -106.49 163.28 13.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.935 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -133.49 154.56 50.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.484 . . . . 0.0 111.232 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.516 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 31.2 t80 -123.16 114.57 20.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.478 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 66.4 t30 -77.61 119.63 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.47 HG23 ' HB3' ' A' ' 16' ' ' MET . 4.9 t -87.42 -14.21 41.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -73.09 -54.52 8.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.895 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.3 m -86.86 -22.32 25.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.03 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt 72.71 65.19 0.11 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.485 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -160.21 165.3 31.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 6.8 m -104.9 142.74 34.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.1 t -153.59 165.09 37.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.255 0.55 . . . . 0.0 111.989 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.793 ' CH2' HD11 ' B' ' 8' ' ' LEU . 96.4 m95 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.901 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 CA--C 1.529 0.261 0 N-CA-C 113.654 0.598 . . . . 0.0 113.654 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.28 150.56 25.76 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.181 2.587 . . . . 0.0 111.581 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.793 HD11 ' CH2' ' A' ' 39' ' ' TRP . 7.1 tp -77.09 146.34 74.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.514 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.427 ' HD3' ' CD1' ' A' ' 28' ' ' TYR . 4.1 Cg_exo -79.05 149.18 22.29 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.129 2.552 . . . . 0.0 112.259 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo . . . . . 0 C--O 1.25 1.075 0 C-N-CA 122.221 1.947 . . . . 0.0 112.174 179.511 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.594 ' HB3' HG23 ' A' ' 32' ' ' THR . 53.7 mmm . . . . . 0 C--O 1.234 0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -133.12 160.5 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.04 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.561 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 39.8 p -127.26 146.69 50.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.429 177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -104.16 128.52 51.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -147.68 165.2 31.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.882 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -116.55 116.6 27.91 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.482 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 40.7 t -53.31 144.68 29.51 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.566 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.77 -17.46 50.25 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.905 2.404 . . . . 0.0 112.558 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.09 13.2 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.077 0.465 . . . . 0.0 109.915 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.01 36.05 36.99 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.184 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.482 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 18.3 mmt180 -118.07 166.12 12.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.651 0.262 . . . . 0.0 110.737 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -109.31 104.39 13.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.163 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -110.26 165.0 12.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.902 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -132.4 148.71 52.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.35 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.561 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 32.8 t80 -112.33 124.59 52.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.288 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.608 HD22 ' H ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -85.0 110.38 18.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.04 179.43 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.594 HG23 ' HB3' ' A' ' 16' ' ' MET . 4.7 t -82.84 -12.49 57.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.707 0.289 . . . . 0.0 111.315 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.608 ' H ' HD22 ' A' ' 31' ' ' ASN . 12.0 tp10 -79.99 -63.03 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.349 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 m -76.52 -14.86 59.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.359 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt 66.28 67.74 0.45 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.305 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -159.93 165.52 31.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.816 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.9 m -104.4 136.17 44.47 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 7.5 t -138.45 161.73 36.27 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.574 0.702 . . . . 0.0 112.815 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.594 ' CH2' HD11 ' B' ' 8' ' ' LEU . 96.8 m95 . . . . . 0 C--N 1.332 -0.181 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.35 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.462 -0.346 0 CA-C-O 120.71 0.213 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -77.78 149.55 26.5 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.839 2.359 . . . . 0.0 112.497 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.594 HD11 ' CH2' ' A' ' 39' ' ' TRP . 14.0 tp -77.88 146.32 71.89 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.411 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.41 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.2 Cg_exo -79.32 149.34 21.75 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.749 2.299 . . . . 0.0 111.67 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--O 1.25 1.083 0 C-N-CA 122.181 1.921 . . . . 0.0 112.157 179.547 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.567 ' HB3' HG23 ' A' ' 32' ' ' THR . 63.0 mtt . . . . . 0 C--O 1.234 0.261 0 CA-C-O 121.356 0.598 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.453 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 80.0 m95 -127.95 155.83 43.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.39 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 81.6 p -120.65 141.48 50.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.206 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.8 125.62 51.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 111.684 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -143.7 168.44 19.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.346 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -116.76 110.66 18.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.402 ' HB2' HD11 ' B' ' 8' ' ' LEU . 43.7 t -50.31 136.08 23.25 Favored Pre-proline 0 C--O 1.235 0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.713 178.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -46.02 -47.45 14.39 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.048 2.499 . . . . 0.0 112.871 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.63 -30.47 8.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.048 0.452 . . . . 0.0 110.551 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.69 41.89 0.55 Allowed Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.017 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.521 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 19.1 mmt180 -125.85 165.78 18.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.758 0.313 . . . . 0.0 111.075 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.3 m -105.49 104.45 14.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.961 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -112.08 165.14 12.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.22 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -130.52 149.43 52.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.997 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.502 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 18.4 t80 -122.64 123.55 41.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 3.3 t-20 -80.69 125.35 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.567 HG23 ' HB3' ' A' ' 16' ' ' MET . 5.1 t -95.34 -1.48 51.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.654 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -65.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.086 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.437 HG22 ' OD1' ' A' ' 31' ' ' ASN . 10.2 t -95.34 -8.15 36.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.445 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm 71.03 78.64 0.17 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.244 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.43 HE21 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -155.16 162.03 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 179.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.7 m -104.85 133.62 49.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.765 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.419 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 7.8 t -132.9 159.5 39.73 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.192 0.52 . . . . 0.0 111.879 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.567 ' CH2' HD11 ' B' ' 8' ' ' LEU . 79.6 m95 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.655 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.463 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.1 Cg_exo . . . . . 0 N--CA 1.464 -0.246 0 CA-C-O 120.581 0.159 . . . . 0.0 112.188 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.408 ' HD2' ' CE2' ' A' ' 30' ' ' TYR . 72.6 Cg_endo -77.98 149.16 25.52 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.524 2.149 . . . . 0.0 112.155 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.567 HD11 ' CH2' ' A' ' 39' ' ' TRP . 21.1 tp -77.85 146.45 72.28 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.553 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.419 ' HG3' ' N ' ' A' ' 38' ' ' THR . 4.3 Cg_exo -79.25 149.29 21.87 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.801 2.334 . . . . 0.0 111.842 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.185 1.924 . . . . 0.0 112.129 179.614 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.513 ' HB3' HG23 ' A' ' 32' ' ' THR . 1.6 mpt? . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.851 0.358 . . . . 0.0 111.66 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -138.41 158.9 43.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.226 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.534 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 36.3 p -119.49 141.72 48.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.458 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -104.06 127.68 51.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 0.0 112.06 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -147.16 169.87 18.4 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.214 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -119.92 108.49 14.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 26' ' ' ARG . 45.3 t -49.15 132.47 16.17 Favored Pre-proline 0 C--O 1.234 0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.57 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -50.92 -35.86 51.1 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.08 2.52 . . . . 0.0 112.688 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.44 -31.36 55.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.047 0.451 . . . . 0.0 109.944 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.04 33.24 0.8 Allowed Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.333 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.514 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 10.1 mmt180 -127.45 165.77 19.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.743 0.306 . . . . 0.0 111.07 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.0 m -105.58 108.22 19.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.973 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -109.68 165.26 11.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.942 0.401 . . . . 0.0 111.505 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -130.76 137.97 49.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.534 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 30.6 t80 -108.26 117.44 34.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.34 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -71.79 121.53 19.1 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 16' ' ' MET . 7.5 t -93.86 -5.81 47.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.963 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.63 -66.69 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.155 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.459 ' HB ' HE21 ' A' ' 36' ' ' GLN . 18.3 m -79.15 -16.4 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 71.55 68.68 0.16 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.928 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.459 HE21 ' HB ' ' A' ' 34' ' ' THR . 22.9 pt20 -156.44 166.59 32.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.676 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 m -103.27 137.08 41.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.255 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 13.9 t -140.03 159.22 42.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.289 0.566 . . . . 0.0 112.224 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.591 ' CH2' HD11 ' B' ' 8' ' ' LEU . 94.7 m95 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.453 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 5.6 Cg_exo . . . . . 0 CA--C 1.529 0.232 0 CA-C-O 120.375 0.073 . . . . 0.0 111.944 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 6.3 Cg_exo -77.03 149.16 28.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.867 2.378 . . . . 0.0 112.235 -178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.591 HD11 ' CH2' ' A' ' 39' ' ' TRP . 17.5 tp -78.08 146.39 71.28 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.802 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.424 ' HG3' ' N ' ' A' ' 38' ' ' THR . 6.3 Cg_exo -79.19 149.4 22.1 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.068 2.512 . . . . 0.0 112.2 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 122.226 1.95 . . . . 0.0 112.063 179.455 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.415 ' HB3' HG23 ' A' ' 32' ' ' THR . 25.0 mmt . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.427 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 90.0 m95 -141.85 149.08 39.83 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.611 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.54 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 43.2 p -119.26 148.16 43.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.657 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.18 131.16 51.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.18 0.514 . . . . 0.0 112.244 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -149.84 170.7 18.16 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.972 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -127.4 118.19 23.62 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.7 t -53.59 141.88 43.43 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.589 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.18 -17.39 38.68 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.239 2.626 . . . . 0.0 112.821 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -85.09 14.2 5.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.06 0.457 . . . . 0.0 110.18 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.84 32.57 40.11 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.18 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 6.8 mtt180 -115.51 165.63 12.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.739 0.304 . . . . 0.0 110.756 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 m -111.13 110.01 20.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.278 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -118.92 162.48 18.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 111.091 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -130.79 152.52 50.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.18 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.54 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 31.5 t80 -114.78 119.18 35.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.36 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.464 ' ND2' ' H ' ' A' ' 34' ' ' THR . 59.8 t30 -80.13 122.74 27.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.656 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.415 HG23 ' HB3' ' A' ' 16' ' ' MET . 8.6 t -94.86 -11.25 29.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.94 -60.4 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.171 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.464 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 28.7 m -88.61 -17.48 30.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.157 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.3 mttm 72.27 67.46 0.13 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.994 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -154.83 165.36 36.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.609 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.483 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 19.4 m -104.64 139.69 39.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.225 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.44 165.5 27.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.214 0.53 . . . . 0.0 112.123 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.613 ' CH2' HD11 ' B' ' 8' ' ' LEU . 99.6 m95 . . . . . 0 N--CA 1.463 0.205 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.881 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.457 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 3.8 Cg_exo . . . . . 0 N--CA 1.463 -0.309 0 CA-C-O 120.606 0.169 . . . . 0.0 112.393 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.04 149.18 28.42 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.559 2.173 . . . . 0.0 111.882 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.613 HD11 ' CH2' ' A' ' 39' ' ' TRP . 16.7 tp -77.74 146.74 73.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.073 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.483 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 5.8 Cg_exo -78.81 149.11 22.96 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.254 2.636 . . . . 0.0 112.265 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo . . . . . 0 C--O 1.25 1.12 0 C-N-CA 122.305 2.003 . . . . 0.0 112.313 179.207 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.639 ' HB3' HG23 ' A' ' 32' ' ' THR . 23.8 mmt . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.811 0.339 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -130.59 162.07 30.14 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.5 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 44.2 p -135.12 144.08 46.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.304 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -104.5 122.29 45.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.147 0.498 . . . . 0.0 111.854 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -141.99 164.8 29.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.871 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -116.53 117.35 29.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.662 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 32.2 t -53.18 144.12 30.58 Favored Pre-proline 0 C--O 1.234 0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.024 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 48.6 Cg_exo -55.61 -40.07 87.49 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.244 2.629 . . . . 0.0 113.32 -178.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.483 ' HB3' ' NE ' ' A' ' 26' ' ' ARG . 16.4 t70 -59.9 -15.43 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.754 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.51 41.11 1.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.329 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.662 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 0.1 OUTLIER -122.88 166.4 15.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 0.0 111.297 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -112.14 104.2 12.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.327 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -110.23 165.63 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.72 138.35 48.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.273 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.5 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 39.5 t80 -107.81 127.5 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.324 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 34' ' ' THR . 53.2 t30 -93.75 114.41 26.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 16' ' ' MET . 7.4 t -83.69 -4.91 59.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.545 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 9.0 tp10 -79.2 -58.32 3.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.982 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.505 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 46.3 m -87.27 -15.14 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.981 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 1.3 mmmp? 68.05 60.43 0.42 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.425 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -150.57 165.17 34.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.936 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 m -109.6 139.25 44.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.892 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 7.7 t -140.36 162.66 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.167 0.508 . . . . 0.0 112.011 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.592 ' CH2' HD11 ' B' ' 8' ' ' LEU . 98.8 m95 . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.377 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 6.5 Cg_exo . . . . . 0 N--CA 1.463 -0.302 0 CA-C-O 120.514 0.131 . . . . 0.0 111.839 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 6.0 Cg_exo -76.94 149.02 28.61 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.817 2.345 . . . . 0.0 112.284 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.592 HD11 ' CH2' ' A' ' 39' ' ' TRP . 17.5 tp -78.33 146.99 71.6 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.411 ' HG3' ' N ' ' A' ' 38' ' ' THR . 5.6 Cg_exo -78.58 149.03 23.6 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.662 2.241 . . . . 0.0 111.793 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.228 1.952 . . . . 0.0 112.384 179.713 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.469 ' O ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-O 121.185 0.517 . . . . 0.0 111.549 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -131.03 145.06 51.91 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.421 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 77.2 p -107.24 145.02 33.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.275 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -104.3 126.7 51.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.994 0.426 . . . . 0.0 111.731 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -143.96 160.67 40.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.126 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.474 ' NZ ' ' HA2' ' A' ' 25' ' ' GLY . 63.6 tttm -112.27 105.34 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' ARG . 47.3 t -47.65 140.38 8.03 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -60.35 -18.31 52.2 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.271 2.647 . . . . 0.0 112.871 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.13 15.4 2.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.979 0.418 . . . . 0.0 110.302 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' HA2' ' NZ ' ' A' ' 21' ' ' LYS . . . 76.6 33.72 46.57 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.04 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -122.71 165.92 15.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.297 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.4 m -111.6 106.71 15.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.273 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -111.46 163.08 14.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 111.089 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -128.98 152.47 48.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.506 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 21.4 t80 -125.1 115.26 20.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.763 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -72.94 126.91 31.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.124 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 16' ' ' MET . 3.3 t -86.1 -33.63 20.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.747 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.05 -61.77 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.556 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.0 m -71.78 -19.92 61.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.285 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.7 mttp 61.14 71.28 0.57 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.572 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.475 HE21 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -159.13 165.07 34.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.005 -179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -104.63 131.37 52.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.753 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.413 ' HB ' ' OE1' ' A' ' 36' ' ' GLN . 11.7 t -131.37 157.54 43.13 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.105 0.478 . . . . 0.0 111.913 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.754 ' CH2' HD11 ' B' ' 8' ' ' LEU . 87.6 m95 . . . . . 0 N--CA 1.463 0.185 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.616 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 CA--C 1.529 0.265 0 N-CA-C 111.581 -0.199 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.98 149.02 25.4 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.575 2.184 . . . . 0.0 113.094 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.754 HD11 ' CH2' ' A' ' 39' ' ' TRP . 8.7 tp -78.32 147.07 71.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.23 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 5.8 Cg_exo -78.59 149.07 23.6 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.735 2.29 . . . . 0.0 112.025 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 9' ' ' PRO . 3.3 Cg_exo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.535 2.157 . . . . 0.0 111.974 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.555 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.241 0.543 . . . . 0.0 111.256 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.7 m95 -132.07 155.32 48.3 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.741 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.489 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 75.0 p -117.58 143.18 46.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.105 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -104.45 127.35 52.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.988 0.423 . . . . 0.0 111.789 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -146.96 166.6 26.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.28 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.461 ' HB3' ' NZ ' ' A' ' 21' ' ' LYS . 3.4 ttpm? -114.59 108.26 16.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 39.5 t -49.95 139.96 16.62 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.428 178.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.98 -19.56 56.11 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.287 2.658 . . . . 0.0 112.815 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.33 9.75 5.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.951 0.405 . . . . 0.0 110.384 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.41 34.63 22.48 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.162 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.448 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 15.0 mmt180 -122.76 165.99 15.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.0 m -109.53 104.8 13.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.583 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -110.0 163.14 13.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.267 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -131.81 142.41 49.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.943 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.489 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 27.8 t80 -114.72 119.36 36.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.52 125.93 29.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.248 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.555 HG23 ' HB3' ' A' ' 16' ' ' MET . 3.7 t -90.46 -9.37 47.65 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.3 -65.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.097 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.6 m -80.75 -18.24 48.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.075 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 72.75 64.17 0.11 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.569 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -147.53 165.55 30.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.526 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.7 143.34 32.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.476 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.495 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 15.1 t -143.59 159.69 42.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.04 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.594 ' CH2' HD11 ' B' ' 8' ' ' LEU . 99.3 m95 . . . . . 0 N--CA 1.462 0.17 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.076 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 3.6 Cg_exo . . . . . 0 N--CA 1.463 -0.319 0 N-CA-C 113.082 0.378 . . . . 0.0 113.082 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.0 Cg_exo -78.01 149.29 25.54 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.044 2.496 . . . . 0.0 111.484 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.594 HD11 ' CH2' ' A' ' 39' ' ' TRP . 17.0 tp -77.84 146.69 72.78 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.564 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.495 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.4 Cg_exo -78.72 149.3 23.37 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.872 2.381 . . . . 0.0 112.162 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.322 2.015 . . . . 0.0 112.108 179.563 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.679 ' HB3' HG23 ' A' ' 32' ' ' THR . 70.1 mtp . . . . . 0 C--O 1.233 0.215 0 CA-C-O 121.033 0.444 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -132.21 163.6 28.21 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 2.2 p -130.91 145.67 52.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.954 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -104.62 125.43 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.145 0.497 . . . . 0.0 111.687 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -148.5 172.76 13.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.326 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 9.6 mtmp? -131.45 118.24 19.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 t -53.8 141.52 46.76 Favored Pre-proline 0 C--O 1.235 0.302 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.723 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.34 -19.14 62.84 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.1 2.533 . . . . 0.0 112.476 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.83 4.5 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.421 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.54 31.71 11.16 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.481 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -120.01 166.1 13.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.752 0.311 . . . . 0.0 110.784 -179.632 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.9 m -111.34 110.0 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.082 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -116.29 163.84 15.41 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.765 0.316 . . . . 0.0 111.333 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -133.21 152.21 51.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.482 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 22.4 t80 -111.01 129.54 55.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.786 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 34' ' ' THR . 64.0 t30 -93.1 106.52 18.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.413 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 16' ' ' MET . 10.0 t -86.26 6.15 31.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.755 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 36.1 tt0 -91.32 -67.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.1 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.428 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 24.9 m -78.04 -15.73 58.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.933 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 73.92 70.89 0.11 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.341 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -164.0 165.74 22.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.597 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.477 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 30.2 m -103.73 138.29 40.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 t -131.84 159.93 37.11 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.534 ' CH2' HD11 ' B' ' 8' ' ' LEU . 89.5 m95 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.476 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.42 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 6.1 Cg_exo . . . . . 0 N--CA 1.461 -0.385 0 CA-C-O 120.687 0.203 . . . . 0.0 112.282 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.84 149.37 26.14 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.534 HD11 ' CH2' ' A' ' 39' ' ' TRP . 15.6 tp -77.86 147.01 73.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.622 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.477 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 4.7 Cg_exo -78.74 149.26 23.27 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.787 2.324 . . . . 0.0 112.017 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo . . . . . 0 C--O 1.248 1.002 0 C-N-CA 122.276 1.984 . . . . 0.0 112.224 179.642 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.617 ' HB3' HG23 ' A' ' 32' ' ' THR . 24.4 mmt . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.831 0.348 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 92.0 m95 -130.13 155.01 46.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.366 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 73.2 p -129.15 141.07 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.923 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -104.64 128.08 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 112.12 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -147.5 172.57 13.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.902 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.27 130.61 52.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.744 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 41.2 t -60.68 147.88 83.12 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.41 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -48.81 -54.95 4.62 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.946 2.43 . . . . 0.0 113.335 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -50.05 -23.53 2.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.927 0.394 . . . . 0.0 111.074 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.5 42.47 0.81 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.474 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.744 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -114.08 165.79 12.27 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.556 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.1 m -105.59 104.03 13.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -113.12 163.79 14.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.879 0.371 . . . . 0.0 110.702 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -129.5 155.34 45.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.482 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 26.9 t80 -126.99 121.99 33.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.212 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.452 ' ND2' ' H ' ' A' ' 34' ' ' THR . 63.2 t30 -85.25 116.75 23.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.617 HG23 ' HB3' ' A' ' 16' ' ' MET . 6.4 t -86.18 -3.77 59.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.621 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -85.06 -50.29 7.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.042 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.452 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 36.0 m -91.25 -17.51 25.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.139 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 70.41 65.35 0.2 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.841 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -160.02 165.13 32.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.59 147.45 27.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.653 178.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.5 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 12.6 t -142.56 157.18 44.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 112.11 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.546 ' CH2' HD11 ' B' ' 8' ' ' LEU . 90.4 m95 . . . . . 0 C--N 1.332 -0.166 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.282 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.461 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.7 Cg_exo . . . . . 0 C--O 1.234 0.298 0 N-CA-C 112.528 0.165 . . . . 0.0 112.528 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.47 149.17 24.04 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.599 2.199 . . . . 0.0 112.235 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.546 HD11 ' CH2' ' A' ' 39' ' ' TRP . 14.6 tp -78.0 147.1 72.99 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.125 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.5 ' HG3' ' N ' ' A' ' 38' ' ' THR . 2.5 Cg_endo -78.85 149.37 23.02 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.598 2.199 . . . . 0.0 112.025 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.206 1.937 . . . . 0.0 112.21 179.625 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.468 ' N ' ' HE1' ' A' ' 17' ' ' TRP . 79.4 p . . . . . 0 N--CA 1.461 0.093 0 CA-C-O 120.884 0.373 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.622 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.1 OUTLIER 59.28 85.22 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.301 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.468 ' HE1' ' N ' ' A' ' 15' ' ' SER . 36.4 m95 -132.03 162.32 31.05 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 21.8 p -126.67 141.45 51.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.973 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -104.4 122.18 44.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.092 0.472 . . . . 0.0 111.502 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -144.07 154.33 43.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.32 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -102.6 106.86 17.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.927 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' ARG . 28.1 t -44.26 130.08 4.6 Favored Pre-proline 0 C--O 1.233 0.214 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.606 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.48 -37.64 42.42 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.102 2.535 . . . . 0.0 113.204 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.59 -27.93 63.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.976 0.417 . . . . 0.0 110.284 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.406 ' O ' ' HD2' ' A' ' 26' ' ' ARG . . . 120.46 37.23 0.74 Allowed Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.805 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 8.5 mmm180 -127.5 167.19 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.619 0.247 . . . . 0.0 110.872 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.0 m -106.15 104.55 14.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.39 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -111.85 161.46 16.33 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.016 0.436 . . . . 0.0 111.534 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -130.1 147.63 51.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.811 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.502 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 32.9 t80 -120.23 122.56 41.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.57 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -79.16 114.17 17.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.673 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 16' ' ' MET . 8.2 t -92.39 7.55 42.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.35 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 9.9 tp10 -91.73 -31.67 15.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.069 0.462 . . . . 0.0 110.227 179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.8 m -120.8 -13.61 8.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.083 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm 72.03 62.51 0.13 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.842 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -142.38 161.93 36.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.55 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.47 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 16.0 m -105.01 138.23 41.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.403 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.9 t -139.7 155.26 47.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.95 0.405 . . . . 0.0 111.84 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.797 ' CH2' HD11 ' B' ' 8' ' ' LEU . 79.7 m95 -104.67 142.64 34.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.915 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 62.83 147.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -50.61 132.18 27.19 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.764 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo . . . . . 0 C--N 1.348 0.54 0 C-N-CA 122.545 2.163 . . . . 0.0 112.822 -179.739 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.463 -0.307 0 CA-C-O 120.498 0.124 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 97.7 Cg_endo -78.22 148.89 24.58 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.525 2.15 . . . . 0.0 112.798 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.7 Cg_exo -77.95 148.53 25.07 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.85 2.367 . . . . 0.0 111.901 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.797 HD11 ' CH2' ' A' ' 39' ' ' TRP . 8.3 tp -78.56 146.19 69.05 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.739 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 4.3 Cg_exo -79.55 149.48 21.25 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.086 2.524 . . . . 0.0 111.684 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 9' ' ' PRO . 15.5 Cg_exo . . . . . 0 C--O 1.25 1.078 0 C-N-CA 122.167 1.911 . . . . 0.0 112.02 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 C--O 1.232 0.173 0 CA-C-O 121.058 0.456 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 32' ' ' THR . 24.9 mmt -122.0 59.32 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.355 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -137.31 156.16 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 38.0 p -116.48 143.16 45.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.67 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -104.37 124.66 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.233 0.54 . . . . 0.0 111.662 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -144.71 168.13 20.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.914 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -117.59 114.33 23.26 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 34.8 t -50.35 144.22 12.15 Favored Pre-proline 0 C--O 1.236 0.363 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.735 178.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 24.2 Cg_exo -62.68 -17.58 59.6 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 123.204 2.603 . . . . 0.0 112.918 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -85.5 13.18 7.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 110.133 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.88 38.48 19.57 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.018 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 6.7 mmm180 -124.02 167.11 14.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.672 0.272 . . . . 0.0 110.719 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.1 m -111.7 106.8 15.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.262 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -110.95 165.13 12.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.039 0.447 . . . . 0.0 111.506 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -131.69 156.08 46.5 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.518 ' CG ' ' HB3' ' B' ' 6' ' ' PRO . 30.4 t80 -128.05 126.94 42.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -80.07 117.47 20.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.373 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 16' ' ' MET . 9.4 t -86.95 -21.27 26.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.525 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -75.46 -48.79 21.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.665 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.3 m -88.98 -19.86 25.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.56 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.2 mttp 67.94 66.33 0.36 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.719 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.11 165.71 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.667 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.6 m -104.08 134.6 47.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.117 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 t -135.36 155.44 50.58 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.769 ' CH2' HD11 ' B' ' 8' ' ' LEU . 89.9 m95 -104.58 163.1 12.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.213 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 64.16 137.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.069 0.461 . . . . 0.0 111.422 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -67.33 135.23 93.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.946 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo . . . . . 0 C--N 1.349 0.601 0 C-N-CA 122.482 2.121 . . . . 0.0 112.314 179.811 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.466 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 73.5 Cg_endo . . . . . 0 N--CA 1.465 -0.2 0 CA-C-O 120.648 0.187 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.518 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.2 Cg_exo -78.14 149.14 25.01 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 123.141 2.561 . . . . 0.0 113.913 -178.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.36 149.79 24.86 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.478 2.785 . . . . 0.0 111.639 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.769 HD11 ' CH2' ' A' ' 39' ' ' TRP . 6.0 tp -77.65 146.0 72.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.389 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.472 ' HB2' ' CD1' ' A' ' 39' ' ' TRP . 2.6 Cg_endo -79.82 149.4 20.54 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.923 2.416 . . . . 0.0 112.099 179.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.116 1.877 . . . . 0.0 112.248 179.514 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.884 0.373 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.617 ' HB2' ' HG3' ' A' ' 33' ' ' GLU . 47.5 mtt 62.67 67.89 0.68 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.071 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 73.9 m95 -127.8 165.06 20.84 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.479 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 65.6 p -128.93 138.0 51.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.304 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -104.67 129.66 52.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 111.839 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -147.59 162.26 39.48 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.387 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -118.31 111.04 18.23 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.612 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 23.0 t -52.84 143.99 28.08 Favored Pre-proline 0 C--O 1.235 0.301 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.847 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.43 -19.44 43.78 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 123.268 2.645 . . . . 0.0 112.879 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.2 11.61 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 110.262 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.57 33.23 39.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.737 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.612 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 23.5 mmt180 -117.28 165.84 12.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.643 0.259 . . . . 0.0 111.047 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 28.6 m -115.4 104.34 11.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.093 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -108.33 159.3 16.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.874 0.369 . . . . 0.0 111.198 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -128.43 152.91 47.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.915 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.489 ' CG ' ' HB3' ' B' ' 6' ' ' PRO . 20.6 t80 -130.86 124.68 31.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.715 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.521 HD22 HE22 ' A' ' 36' ' ' GLN . 45.0 t30 -85.85 132.74 34.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.425 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.532 HG23 ' HB3' ' A' ' 16' ' ' MET . 2.1 t -94.75 -11.12 29.65 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.707 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.617 ' HG3' ' HB2' ' A' ' 16' ' ' MET . 27.9 mt-10 -70.11 -65.3 0.74 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.983 0.42 . . . . 0.0 110.254 179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.461 ' HB ' ' OE1' ' A' ' 36' ' ' GLN . 88.8 m -86.22 -15.35 41.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.12 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt 69.07 77.26 0.23 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.118 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.521 HE22 HD22 ' A' ' 31' ' ' ASN . 19.5 pm0 -154.49 161.43 41.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 0.0 111.237 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.2 m -107.72 139.84 41.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.001 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.405 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 15.0 t -143.86 161.85 37.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.057 0.456 . . . . 0.0 112.019 -179.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.766 ' CH2' HD11 ' B' ' 8' ' ' LEU . 97.2 m95 -104.09 164.86 11.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.063 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 65.6 138.0 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.124 0.488 . . . . 0.0 110.897 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -66.76 140.54 96.36 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.263 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo . . . . . 0 N--CA 1.459 -0.534 0 C-N-CA 122.821 2.347 . . . . 0.0 112.164 179.628 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 72.5 Cg_endo . . . . . 0 N--CA 1.463 -0.289 0 CA-C-O 120.684 0.202 . . . . 0.0 112.618 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.489 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.2 Cg_exo -78.33 149.95 25.09 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.298 2.666 . . . . 0.0 112.75 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.6 Cg_exo -77.81 149.21 26.09 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.85 2.367 . . . . 0.0 111.736 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.766 HD11 ' CH2' ' A' ' 39' ' ' TRP . 7.9 tp -78.18 146.4 70.92 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.405 ' HG3' ' N ' ' A' ' 38' ' ' THR . 5.8 Cg_exo -79.2 149.05 21.84 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.731 2.287 . . . . 0.0 111.885 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo . . . . . 0 C--O 1.249 1.068 0 C-N-CA 122.206 1.938 . . . . 0.0 112.294 179.562 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.425 ' N ' ' HE1' ' A' ' 17' ' ' TRP . 64.1 m . . . . . 0 CA--C 1.523 -0.093 0 CA-C-O 120.68 0.276 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 32' ' ' THR . 23.5 mmt 58.19 96.4 0.02 OUTLIER 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.406 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.425 ' HE1' ' N ' ' A' ' 15' ' ' SER . 79.9 m95 -136.54 145.91 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.059 0.456 . . . . 0.0 111.89 -179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -104.59 136.55 43.91 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.295 178.263 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -104.63 122.08 44.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.036 0.446 . . . . 0.0 111.753 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -146.5 165.55 29.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.296 179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -117.54 114.66 23.77 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.402 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 30.7 t -53.74 141.83 45.22 Favored Pre-proline 0 C--O 1.236 0.343 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.325 178.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.62 -17.48 49.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.128 2.552 . . . . 0.0 112.739 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.23 11.6 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.038 0.447 . . . . 0.0 110.204 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.06 39.03 13.61 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.418 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 16.7 mmt180 -125.01 166.23 16.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 0.0 110.956 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 55.9 m -113.5 104.34 12.17 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -109.07 165.07 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.035 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 18' ' ' THR . 75.4 m-85 -132.01 155.37 48.12 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.898 0.38 . . . . 0.0 111.717 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' B' ' 6' ' ' PRO . 20.9 t80 -117.38 112.14 20.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.628 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -72.02 126.4 29.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.511 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -92.53 -17.62 24.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.661 0.267 . . . . 0.0 111.657 -179.598 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -69.92 -53.62 17.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.85 0.357 . . . . 0.0 110.71 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.7 m -93.69 -10.34 34.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.0 mttp 62.6 65.98 0.8 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -153.49 166.36 32.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.024 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.453 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 23.7 m -103.94 139.6 38.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 t -142.85 164.87 28.91 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.358 0.599 . . . . 0.0 112.276 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.593 ' CH2' HD11 ' B' ' 8' ' ' LEU . 98.7 m95 -103.57 165.24 11.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 64.47 136.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.215 0.531 . . . . 0.0 111.572 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -72.63 130.32 85.77 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.88 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo . . . . . 0 C--N 1.349 0.567 0 C-N-CA 122.383 2.056 . . . . 0.0 112.279 179.768 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 4.6 Cg_exo . . . . . 0 CA--C 1.53 0.278 0 N-CA-C 112.771 0.258 . . . . 0.0 112.771 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.456 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 4.7 Cg_exo -77.78 151.08 27.84 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.211 2.607 . . . . 0.0 111.952 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -77.09 149.19 28.28 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.495 2.13 . . . . 0.0 111.861 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.593 HD11 ' CH2' ' A' ' 39' ' ' TRP . 16.5 tp -77.88 146.66 72.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.785 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.453 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 6.3 Cg_exo -78.87 149.16 22.82 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.883 2.389 . . . . 0.0 112.098 179.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.35 2.033 . . . . 0.0 112.24 179.433 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.151 0.5 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.596 ' HB3' HG23 ' A' ' 32' ' ' THR . 95.7 mmm -143.11 71.19 1.33 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.327 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 31.3 m95 -131.62 152.48 50.79 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.441 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.499 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 80.9 p -113.64 150.2 33.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.651 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -103.97 131.37 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.136 0.493 . . . . 0.0 112.095 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.0 m-70 -150.04 166.62 29.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.955 179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -123.44 115.75 22.09 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' ARG . 27.8 t -52.69 143.05 30.72 Favored Pre-proline 0 C--O 1.234 0.269 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.623 178.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.03 -22.65 64.85 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.223 2.615 . . . . 0.0 112.882 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.56 8.97 4.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 0.0 110.403 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.95 36.53 15.1 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.227 -179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 22' ' ' SER . 11.1 mmt180 -120.38 166.08 14.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.631 0.253 . . . . 0.0 110.742 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.0 m -110.49 104.96 13.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.278 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -110.75 163.44 13.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.79 0.329 . . . . 0.0 110.923 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -128.61 142.62 50.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.941 0.4 . . . . 0.0 111.554 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.499 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 26.7 t80 -112.46 108.51 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.281 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -64.69 121.92 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.529 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.596 HG23 ' HB3' ' A' ' 16' ' ' MET . 5.0 t -87.58 -7.83 57.03 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.073 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -83.12 -74.06 0.38 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.877 0.37 . . . . 0.0 110.251 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.0 m -69.36 -16.08 63.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.889 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.5 mttt 69.46 65.34 0.26 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.198 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -153.36 165.56 35.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.481 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.637 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 3.3 m -107.13 152.98 23.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.665 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.9 t -148.15 162.76 38.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.041 0.448 . . . . 0.0 111.53 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.547 ' CH2' HD11 ' B' ' 8' ' ' LEU . 94.6 m95 -103.25 159.16 15.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.689 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 62.99 136.09 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.818 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -65.45 126.73 92.07 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.669 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo . . . . . 0 C--N 1.349 0.596 0 C-N-CA 122.432 2.088 . . . . 0.0 112.434 -179.785 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 2.8 Cg_exo . . . . . 0 CA--C 1.529 0.229 0 N-CA-C 111.247 -0.328 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 5' ' ' PRO . 6.4 Cg_exo -75.86 148.9 32.61 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.038 1.826 . . . . 0.0 111.816 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.407 ' O ' ' OG ' ' A' ' 37' ' ' SER . 91.4 Cg_endo -78.56 149.09 23.69 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.792 2.328 . . . . 0.0 113.326 -177.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.547 HD11 ' CH2' ' A' ' 39' ' ' TRP . 16.7 tp -78.37 147.36 72.09 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.966 179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.637 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 2.5 Cg_endo -78.42 149.15 24.18 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.379 2.052 . . . . 0.0 111.941 179.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--O 1.249 1.061 0 C-N-CA 122.337 2.025 . . . . 0.0 112.162 179.662 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 16' ' ' MET . 49.6 m . . . . . 0 CA--C 1.523 -0.062 0 CA-C-O 120.562 0.22 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.47 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.4 OUTLIER 66.92 57.52 0.63 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.999 -179.766 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 89.9 m95 -133.54 140.9 47.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.323 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 20.8 p -110.83 142.31 43.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.934 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -104.39 130.7 52.24 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -147.74 155.41 41.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.624 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -110.79 108.06 17.78 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' ARG . 29.8 t -45.87 132.36 6.86 Favored Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.922 178.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 52.4 Cg_exo -52.24 -36.28 66.88 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 122.964 2.443 . . . . 0.0 112.805 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.44 -27.81 57.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.017 0.437 . . . . 0.0 110.246 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.33 34.79 0.92 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.923 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.5 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 14.5 mmm180 -126.79 166.27 17.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.614 0.245 . . . . 0.0 110.595 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.4 m -107.6 104.3 13.81 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.244 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.427 ' CD1' ' HD3' ' B' ' 9' ' ' PRO . 6.7 p90 -106.49 163.28 13.0 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.935 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -133.49 154.56 50.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.484 . . . . 0.0 111.232 -179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.516 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 31.2 t80 -123.16 114.57 20.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.478 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 66.4 t30 -77.61 119.63 21.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.47 HG23 ' HB3' ' A' ' 16' ' ' MET . 4.9 t -87.42 -14.21 41.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -73.09 -54.52 8.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.895 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.3 m -86.86 -22.32 25.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.03 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt 72.71 65.19 0.11 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.485 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -160.21 165.3 31.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 6.8 m -104.9 142.74 34.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.1 t -153.59 165.09 37.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.255 0.55 . . . . 0.0 111.989 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.793 ' CH2' HD11 ' B' ' 8' ' ' LEU . 96.4 m95 -104.19 102.34 12.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.901 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 39' ' ' TRP . 10.8 tp10 169.39 133.28 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.831 0.348 . . . . 0.0 111.159 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -91.9 127.92 47.88 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.35 0.61 0 C-N-CA 122.387 2.058 . . . . 0.0 112.228 179.848 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo . . . . . 0 CA--C 1.532 0.378 0 CA-C-O 120.439 0.1 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.84 149.62 26.36 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.867 2.378 . . . . 0.0 113.654 -178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -78.28 150.56 25.76 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.181 2.587 . . . . 0.0 111.581 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.793 HD11 ' CH2' ' A' ' 39' ' ' TRP . 7.1 tp -77.09 146.34 74.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.514 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.427 ' HD3' ' CD1' ' A' ' 28' ' ' TYR . 4.1 Cg_exo -79.05 149.18 22.29 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.129 2.552 . . . . 0.0 112.259 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo . . . . . 0 C--O 1.25 1.075 0 C-N-CA 122.221 1.947 . . . . 0.0 112.174 179.511 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.6 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 121.041 0.448 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.594 ' HB3' HG23 ' A' ' 32' ' ' THR . 53.7 mmm -127.18 68.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.966 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -133.12 160.5 37.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.04 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.561 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 39.8 p -127.26 146.69 50.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.429 177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -104.16 128.52 51.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -147.68 165.2 31.19 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.882 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -116.55 116.6 27.91 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.482 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 40.7 t -53.31 144.68 29.51 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.566 178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -60.77 -17.46 50.25 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.905 2.404 . . . . 0.0 112.558 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -85.09 13.2 6.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.077 0.465 . . . . 0.0 109.915 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.01 36.05 36.99 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.184 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.482 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 18.3 mmt180 -118.07 166.12 12.93 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.651 0.262 . . . . 0.0 110.737 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -109.31 104.39 13.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.163 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -110.26 165.0 12.11 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.902 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -132.4 148.71 52.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.35 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.561 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 32.8 t80 -112.33 124.59 52.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.288 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.608 HD22 ' H ' ' A' ' 33' ' ' GLU . 0.2 OUTLIER -85.0 110.38 18.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.04 179.43 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.594 HG23 ' HB3' ' A' ' 16' ' ' MET . 4.7 t -82.84 -12.49 57.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.707 0.289 . . . . 0.0 111.315 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.608 ' H ' HD22 ' A' ' 31' ' ' ASN . 12.0 tp10 -79.99 -63.03 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.349 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 m -76.52 -14.86 59.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.359 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt 66.28 67.74 0.45 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.305 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -159.93 165.52 31.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.816 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.9 m -104.4 136.17 44.47 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 7.5 t -138.45 161.73 36.27 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.574 0.702 . . . . 0.0 112.815 -178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.594 ' CH2' HD11 ' B' ' 8' ' ' LEU . 96.8 m95 -104.66 156.77 17.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.35 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 64.5 138.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.197 0.523 . . . . 0.0 111.64 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -68.55 135.43 90.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.695 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo . . . . . 0 C--N 1.35 0.638 0 C-N-CA 122.18 1.92 . . . . 0.0 112.559 -179.709 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo . . . . . 0 CA--C 1.528 0.176 0 N-CA-C 111.926 -0.067 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.14 150.34 33.27 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.595 2.197 . . . . 0.0 112.041 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -77.78 149.55 26.5 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.839 2.359 . . . . 0.0 112.497 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.594 HD11 ' CH2' ' A' ' 39' ' ' TRP . 14.0 tp -77.88 146.32 71.89 Favored Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.411 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.41 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.2 Cg_exo -79.32 149.34 21.75 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 122.749 2.299 . . . . 0.0 111.67 178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--O 1.25 1.083 0 C-N-CA 122.181 1.921 . . . . 0.0 112.157 179.547 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 16' ' ' MET . 8.7 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.649 0.261 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.567 ' HB3' HG23 ' A' ' 32' ' ' THR . 63.0 mtt 69.91 62.64 0.25 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.356 0.598 . . . . 0.0 110.243 -179.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.453 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 80.0 m95 -127.95 155.83 43.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.39 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.502 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 81.6 p -120.65 141.48 50.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.206 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -104.8 125.62 51.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 111.684 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -143.7 168.44 19.89 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.346 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -116.76 110.66 18.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.402 ' HB2' HD11 ' B' ' 8' ' ' LEU . 43.7 t -50.31 136.08 23.25 Favored Pre-proline 0 C--O 1.235 0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.713 178.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -46.02 -47.45 14.39 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.048 2.499 . . . . 0.0 112.871 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.63 -30.47 8.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.048 0.452 . . . . 0.0 110.551 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.69 41.89 0.55 Allowed Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.017 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.521 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 19.1 mmt180 -125.85 165.78 18.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.758 0.313 . . . . 0.0 111.075 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 89.3 m -105.49 104.45 14.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.961 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -112.08 165.14 12.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.22 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -130.52 149.43 52.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.997 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.502 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 18.4 t80 -122.64 123.55 41.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 17' ' ' TRP . 3.3 t-20 -80.69 125.35 29.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.567 HG23 ' HB3' ' A' ' 16' ' ' MET . 5.1 t -95.34 -1.48 51.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.654 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -65.52 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.086 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.437 HG22 ' OD1' ' A' ' 31' ' ' ASN . 10.2 t -95.34 -8.15 36.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.445 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm 71.03 78.64 0.17 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.244 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.43 HE21 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -155.16 162.03 41.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.695 179.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.7 m -104.85 133.62 49.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.765 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.419 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 7.8 t -132.9 159.5 39.73 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.192 0.52 . . . . 0.0 111.879 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.567 ' CH2' HD11 ' B' ' 8' ' ' LEU . 79.6 m95 -104.6 143.66 32.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.655 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 64.11 141.58 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.222 0.534 . . . . 0.0 111.379 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -56.64 137.4 77.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.87 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo . . . . . 0 C--N 1.348 0.54 0 C-N-CA 122.577 2.185 . . . . 0.0 112.522 -179.841 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 72.0 Cg_endo . . . . . 0 N--CA 1.463 -0.275 0 CA-C-O 120.449 0.104 . . . . 0.0 112.239 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.463 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.1 Cg_exo -77.48 149.65 27.5 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.769 2.313 . . . . 0.0 112.188 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.408 ' HD2' ' CE2' ' A' ' 30' ' ' TYR . 72.6 Cg_endo -77.98 149.16 25.52 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.524 2.149 . . . . 0.0 112.155 -179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.567 HD11 ' CH2' ' A' ' 39' ' ' TRP . 21.1 tp -77.85 146.45 72.28 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.553 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.419 ' HG3' ' N ' ' A' ' 38' ' ' THR . 4.3 Cg_exo -79.25 149.29 21.87 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.801 2.334 . . . . 0.0 111.842 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.185 1.924 . . . . 0.0 112.129 179.614 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.494 ' N ' ' HE1' ' A' ' 17' ' ' TRP . 22.7 t . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.657 0.265 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.513 ' HB3' HG23 ' A' ' 32' ' ' THR . 1.6 mpt? 66.84 71.93 0.37 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.66 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.494 ' HE1' ' N ' ' A' ' 15' ' ' SER . 17.9 m95 -138.41 158.9 43.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.226 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.534 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 36.3 p -119.49 141.72 48.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.458 178.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -104.06 127.68 51.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.131 0.491 . . . . 0.0 112.06 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -147.16 169.87 18.4 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.214 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -119.92 108.49 14.41 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 26' ' ' ARG . 45.3 t -49.15 132.47 16.17 Favored Pre-proline 0 C--O 1.234 0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.57 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -50.92 -35.86 51.1 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.08 2.52 . . . . 0.0 112.688 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -54.44 -31.36 55.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.047 0.451 . . . . 0.0 109.944 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.04 33.24 0.8 Allowed Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.333 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.514 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 10.1 mmt180 -127.45 165.77 19.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.743 0.306 . . . . 0.0 111.07 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.0 m -105.58 108.22 19.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.973 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -109.68 165.26 11.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.942 0.401 . . . . 0.0 111.505 -179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -130.76 137.97 49.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.534 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 30.6 t80 -108.26 117.44 34.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.34 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -71.79 121.53 19.1 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 16' ' ' MET . 7.5 t -93.86 -5.81 47.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.963 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -80.63 -66.69 0.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.155 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.459 ' HB ' HE21 ' A' ' 36' ' ' GLN . 18.3 m -79.15 -16.4 56.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.424 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 71.55 68.68 0.16 Allowed 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.928 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.459 HE21 ' HB ' ' A' ' 34' ' ' THR . 22.9 pt20 -156.44 166.59 32.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.676 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 m -103.27 137.08 41.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.255 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 13.9 t -140.03 159.22 42.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.289 0.566 . . . . 0.0 112.224 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.591 ' CH2' HD11 ' B' ' 8' ' ' LEU . 94.7 m95 -104.02 163.32 12.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.453 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 62.84 139.82 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.618 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -60.48 112.37 5.47 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.657 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo . . . . . 0 C--N 1.346 0.446 0 C-N-CA 122.596 2.197 . . . . 0.0 112.771 -179.787 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 4.1 Cg_exo . . . . . 0 CA--C 1.529 0.272 0 N-CA-C 112.735 0.244 . . . . 0.0 112.735 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 5.6 Cg_exo -76.84 150.43 30.46 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.001 2.468 . . . . 0.0 111.944 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 6.3 Cg_exo -77.03 149.16 28.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.867 2.378 . . . . 0.0 112.235 -178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.591 HD11 ' CH2' ' A' ' 39' ' ' TRP . 17.5 tp -78.08 146.39 71.28 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.802 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.424 ' HG3' ' N ' ' A' ' 38' ' ' THR . 6.3 Cg_exo -79.19 149.4 22.1 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.068 2.512 . . . . 0.0 112.2 178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 122.226 1.95 . . . . 0.0 112.063 179.455 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 16' ' ' MET . 46.6 m . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.654 0.264 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 15' ' ' SER . 25.0 mmt 70.26 56.71 0.28 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.219 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.427 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 90.0 m95 -141.85 149.08 39.83 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.611 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.54 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 43.2 p -119.26 148.16 43.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.657 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.18 131.16 51.77 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.18 0.514 . . . . 0.0 112.244 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -149.84 170.7 18.16 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.972 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 58.2 mttm -127.4 118.19 23.62 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.7 t -53.59 141.88 43.43 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.589 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -59.18 -17.39 38.68 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.239 2.626 . . . . 0.0 112.821 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -85.09 14.2 5.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.06 0.457 . . . . 0.0 110.18 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.84 32.57 40.11 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.18 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 6.8 mtt180 -115.51 165.63 12.79 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.739 0.304 . . . . 0.0 110.756 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 36.7 m -111.13 110.01 20.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.278 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -118.92 162.48 18.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 111.091 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -130.79 152.52 50.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.18 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.54 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 31.5 t80 -114.78 119.18 35.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.36 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.464 ' ND2' ' H ' ' A' ' 34' ' ' THR . 59.8 t30 -80.13 122.74 27.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.656 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.415 HG23 ' HB3' ' A' ' 16' ' ' MET . 8.6 t -94.86 -11.25 29.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -72.94 -60.4 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.171 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.464 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 28.7 m -88.61 -17.48 30.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.157 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.3 mttm 72.27 67.46 0.13 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.994 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -154.83 165.36 36.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.609 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.483 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 19.4 m -104.64 139.69 39.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.225 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -144.44 165.5 27.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.214 0.53 . . . . 0.0 112.123 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.613 ' CH2' HD11 ' B' ' 8' ' ' LEU . 99.6 m95 -103.75 165.59 10.94 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.881 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 65.91 142.46 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.658 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 42' ' ' PRO . 9.3 mtpm? -54.32 130.03 60.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.546 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 41' ' ' LYS . 59.2 Cg_endo . . . . . 0 N--CA 1.456 -0.707 0 C-N-CA 123.418 2.745 . . . . 0.0 112.726 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 2.7 Cg_exo . . . . . 0 N--CA 1.463 -0.284 0 CA-C-O 120.549 0.145 . . . . 0.0 112.46 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.457 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 3.8 Cg_exo -77.4 150.98 29.04 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.104 2.536 . . . . 0.0 112.393 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.04 149.18 28.42 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.559 2.173 . . . . 0.0 111.882 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.613 HD11 ' CH2' ' A' ' 39' ' ' TRP . 16.7 tp -77.74 146.74 73.25 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.073 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.483 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 5.8 Cg_exo -78.81 149.11 22.96 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 123.254 2.636 . . . . 0.0 112.265 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo . . . . . 0 C--O 1.25 1.12 0 C-N-CA 122.305 2.003 . . . . 0.0 112.313 179.207 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.0 p . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.524 0.202 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.639 ' HB3' HG23 ' A' ' 32' ' ' THR . 23.8 mmt 69.98 57.84 0.29 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.208 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -130.59 162.07 30.14 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.5 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 44.2 p -135.12 144.08 46.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.304 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -104.5 122.29 45.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.147 0.498 . . . . 0.0 111.854 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -141.99 164.8 29.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.871 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -116.53 117.35 29.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.662 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 32.2 t -53.18 144.12 30.58 Favored Pre-proline 0 C--O 1.234 0.247 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.024 177.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 22' ' ' SER . 48.6 Cg_exo -55.61 -40.07 87.49 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.244 2.629 . . . . 0.0 113.32 -178.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.483 ' HB3' ' NE ' ' A' ' 26' ' ' ARG . 16.4 t70 -59.9 -15.43 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.924 0.392 . . . . 0.0 110.754 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.51 41.11 1.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.329 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.662 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 0.1 OUTLIER -122.88 166.4 15.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.722 0.296 . . . . 0.0 111.297 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.7 m -112.14 104.2 12.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.327 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -110.23 165.63 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.72 138.35 48.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.273 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.5 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 39.5 t80 -107.81 127.5 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.324 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 34' ' ' THR . 53.2 t30 -93.75 114.41 26.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 16' ' ' MET . 7.4 t -83.69 -4.91 59.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.545 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 9.0 tp10 -79.2 -58.32 3.28 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.982 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.505 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 46.3 m -87.27 -15.14 38.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.981 179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 35' ' ' LYS . 1.3 mmmp? 68.05 60.43 0.42 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.425 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -150.57 165.17 34.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.936 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 m -109.6 139.25 44.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.892 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 7.7 t -140.36 162.66 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.167 0.508 . . . . 0.0 112.011 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.592 ' CH2' HD11 ' B' ' 8' ' ' LEU . 98.8 m95 -102.99 157.18 17.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.377 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 64.18 137.03 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -66.7 130.34 94.05 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.047 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo . . . . . 0 C--N 1.349 0.594 0 C-N-CA 122.467 2.111 . . . . 0.0 112.066 179.654 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 6.1 Cg_exo . . . . . 0 N--CA 1.463 -0.281 0 N-CA-C 112.516 0.16 . . . . 0.0 112.516 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.467 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 6.5 Cg_exo -76.9 150.4 30.19 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.855 2.37 . . . . 0.0 111.839 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 6.0 Cg_exo -76.94 149.02 28.61 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.817 2.345 . . . . 0.0 112.284 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.592 HD11 ' CH2' ' A' ' 39' ' ' TRP . 17.5 tp -78.33 146.99 71.6 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.36 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.411 ' HG3' ' N ' ' A' ' 38' ' ' THR . 5.6 Cg_exo -78.58 149.03 23.6 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.662 2.241 . . . . 0.0 111.793 179.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.228 1.952 . . . . 0.0 112.384 179.713 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' MET . 17.0 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.677 0.275 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.469 ' O ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER 71.44 61.5 0.16 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.549 179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -131.03 145.06 51.91 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.421 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 77.2 p -107.24 145.02 33.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.275 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -104.3 126.7 51.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.994 0.426 . . . . 0.0 111.731 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -143.96 160.67 40.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.126 179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' NZ ' ' HA2' ' A' ' 25' ' ' GLY . 63.6 tttm -112.27 105.34 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' ARG . 47.3 t -47.65 140.38 8.03 Favored Pre-proline 0 C--O 1.235 0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.709 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -60.35 -18.31 52.2 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.271 2.647 . . . . 0.0 112.871 -178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -82.13 15.4 2.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.979 0.418 . . . . 0.0 110.302 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' HA2' ' NZ ' ' A' ' 21' ' ' LYS . . . 76.6 33.72 46.57 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.04 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -122.71 165.92 15.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.297 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 54.4 m -111.6 106.71 15.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.273 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -111.46 163.08 14.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 111.089 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -128.98 152.47 48.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.506 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 21.4 t80 -125.1 115.26 20.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.763 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -72.94 126.91 31.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.124 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 16' ' ' MET . 3.3 t -86.1 -33.63 20.86 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.747 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -68.05 -61.77 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.556 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 46.0 m -71.78 -19.92 61.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.285 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.7 mttp 61.14 71.28 0.57 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.572 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.475 HE21 ' HB2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -159.13 165.07 34.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.005 -179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -104.63 131.37 52.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.753 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.413 ' HB ' ' OE1' ' A' ' 36' ' ' GLN . 11.7 t -131.37 157.54 43.13 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.105 0.478 . . . . 0.0 111.913 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.754 ' CH2' HD11 ' B' ' 8' ' ' LEU . 87.6 m95 -104.04 150.44 24.27 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.616 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 63.39 148.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.711 ' H ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -47.74 143.03 6.33 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.028 179.606 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo . . . . . 0 C--N 1.348 0.506 0 C-N-CA 122.51 2.14 . . . . 0.0 112.339 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.488 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 4.8 Cg_exo . . . . . 0 CA--C 1.527 0.171 0 N-CA-C 112.355 0.098 . . . . 0.0 112.355 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' B' ' 5' ' ' PRO . 6.8 Cg_exo -76.08 149.94 33.03 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.712 2.275 . . . . 0.0 111.581 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -77.98 149.02 25.4 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.575 2.184 . . . . 0.0 113.094 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.754 HD11 ' CH2' ' A' ' 39' ' ' TRP . 8.7 tp -78.32 147.07 71.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.23 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.478 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 5.8 Cg_exo -78.59 149.07 23.6 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.735 2.29 . . . . 0.0 112.025 179.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' B' ' 9' ' ' PRO . 3.3 Cg_exo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.535 2.157 . . . . 0.0 111.974 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' MET . 68.2 m . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.525 0.202 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.555 ' HB3' HG23 ' A' ' 32' ' ' THR . 0.2 OUTLIER 68.22 68.48 0.33 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.241 0.543 . . . . 0.0 111.256 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.484 ' CZ2' ' HG3' ' A' ' 42' ' ' PRO . 45.7 m95 -132.07 155.32 48.3 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.741 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.489 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 75.0 p -117.58 143.18 46.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.105 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -104.45 127.35 52.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.988 0.423 . . . . 0.0 111.789 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -146.96 166.6 26.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.28 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' HB3' ' NZ ' ' A' ' 21' ' ' LYS . 3.4 ttpm? -114.59 108.26 16.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -178.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 39.5 t -49.95 139.96 16.62 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.428 178.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.98 -19.56 56.11 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.287 2.658 . . . . 0.0 112.815 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.33 9.75 5.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.951 0.405 . . . . 0.0 110.384 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.41 34.63 22.48 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.162 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.448 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 15.0 mmt180 -122.76 165.99 15.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 0.0 110.925 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 40.0 m -109.53 104.8 13.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.583 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -110.0 163.14 13.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.267 -178.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -131.81 142.41 49.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.943 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.489 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 27.8 t80 -114.72 119.36 36.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -73.52 125.93 29.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.248 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.555 HG23 ' HB3' ' A' ' 16' ' ' MET . 3.7 t -90.46 -9.37 47.65 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.3 -65.92 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.842 0.353 . . . . 0.0 110.097 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.6 m -80.75 -18.24 48.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.075 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 72.75 64.17 0.11 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.569 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -147.53 165.55 30.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.526 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.7 143.34 32.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.476 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.495 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 15.1 t -143.59 159.69 42.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.04 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.594 ' CH2' HD11 ' B' ' 8' ' ' LEU . 99.3 m95 -104.01 132.44 50.26 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.076 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 64.64 136.92 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.074 0.464 . . . . 0.0 111.551 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -67.12 153.2 95.08 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.158 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.484 ' HG3' ' CZ2' ' A' ' 17' ' ' TRP . 69.1 Cg_endo . . . . . 0 C--N 1.349 0.587 0 C-N-CA 123.017 2.478 . . . . 0.0 112.704 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 3.7 Cg_exo . . . . . 0 N--CA 1.462 -0.328 0 CA-C-O 120.657 0.191 . . . . 0.0 112.538 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.486 ' HA ' ' HD3' ' B' ' 7' ' ' PRO . 3.6 Cg_exo -78.42 149.78 24.68 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.45 2.766 . . . . 0.0 113.082 -179.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' B' ' 6' ' ' PRO . 5.0 Cg_exo -78.01 149.29 25.54 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.044 2.496 . . . . 0.0 111.484 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.594 HD11 ' CH2' ' A' ' 39' ' ' TRP . 17.0 tp -77.84 146.69 72.78 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.564 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.495 ' HG3' ' N ' ' A' ' 38' ' ' THR . 3.4 Cg_exo -78.72 149.3 23.37 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.872 2.381 . . . . 0.0 112.162 179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo . . . . . 0 C--O 1.25 1.085 0 C-N-CA 122.322 2.015 . . . . 0.0 112.108 179.563 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.232 0.143 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.679 ' HB3' HG23 ' A' ' 32' ' ' THR . 70.1 mtp 70.03 60.77 0.25 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.033 0.444 . . . . 0.0 111.023 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 75.6 m95 -132.21 163.6 28.21 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 2.2 p -130.91 145.67 52.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.954 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -104.62 125.43 50.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.145 0.497 . . . . 0.0 111.687 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -148.5 172.76 13.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.326 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' NZ ' ' HB2' ' A' ' 21' ' ' LYS . 9.6 mtmp? -131.45 118.24 19.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 t -53.8 141.52 46.76 Favored Pre-proline 0 C--O 1.235 0.302 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.723 178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.34 -19.14 62.84 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.1 2.533 . . . . 0.0 112.476 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -77.83 4.5 11.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.421 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.54 31.71 11.16 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.481 ' HB2' ' HZ3' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -120.01 166.1 13.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.752 0.311 . . . . 0.0 110.784 -179.632 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 58.9 m -111.34 110.0 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.082 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -116.29 163.84 15.41 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.765 0.316 . . . . 0.0 111.333 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -133.21 152.21 51.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.482 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 22.4 t80 -111.01 129.54 55.87 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.786 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 34' ' ' THR . 64.0 t30 -93.1 106.52 18.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.413 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 16' ' ' MET . 10.0 t -86.26 6.15 31.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.045 0.45 . . . . 0.0 110.755 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 36.1 tt0 -91.32 -67.99 0.82 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.1 179.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.428 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 24.9 m -78.04 -15.73 58.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.933 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 73.92 70.89 0.11 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.341 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -164.0 165.74 22.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.597 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.477 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . 30.2 m -103.73 138.29 40.56 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 t -131.84 159.93 37.11 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.534 ' CH2' HD11 ' B' ' 8' ' ' LEU . 89.5 m95 -104.09 156.57 17.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.476 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 62.7 147.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.51 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.7 mttp -48.8 137.96 12.72 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.103 179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo . . . . . 0 C--N 1.349 0.555 0 C-N-CA 122.537 2.158 . . . . 0.0 112.489 -179.805 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo . . . . . 0 N--CA 1.463 -0.287 0 CA-C-O 120.371 0.071 . . . . 0.0 112.07 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.42 ' HB3' ' CD2' ' A' ' 30' ' ' TYR . 6.1 Cg_exo -77.47 150.42 28.28 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.82 2.347 . . . . 0.0 112.282 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -77.84 149.37 26.14 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.534 HD11 ' CH2' ' A' ' 39' ' ' TRP . 15.6 tp -77.86 147.01 73.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.622 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.477 ' HG3' ' HB3' ' A' ' 37' ' ' SER . 4.7 Cg_exo -78.74 149.26 23.27 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.787 2.324 . . . . 0.0 112.017 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo . . . . . 0 C--O 1.248 1.002 0 C-N-CA 122.276 1.984 . . . . 0.0 112.224 179.642 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.373 0.13 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.617 ' HB3' HG23 ' A' ' 32' ' ' THR . 24.4 mmt 63.7 56.65 1.51 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.831 0.348 . . . . 0.0 110.185 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 31' ' ' ASN . 92.0 m95 -130.13 155.01 46.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.366 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 30' ' ' TYR . 73.2 p -129.15 141.07 51.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.923 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -104.64 128.08 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.029 0.442 . . . . 0.0 112.12 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -147.5 172.57 13.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.902 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.27 130.61 52.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.744 ' HB3' ' HB2' ' A' ' 26' ' ' ARG . 41.2 t -60.68 147.88 83.12 Favored Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.41 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -48.81 -54.95 4.62 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.946 2.43 . . . . 0.0 113.335 -178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -50.05 -23.53 2.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.927 0.394 . . . . 0.0 111.074 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.5 42.47 0.81 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.474 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.744 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 0.0 OUTLIER -114.08 165.79 12.27 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.188 -0.205 . . . . 0.0 110.556 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 90.1 m -105.59 104.03 13.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -113.12 163.79 14.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.879 0.371 . . . . 0.0 110.702 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -129.5 155.34 45.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.482 ' HB3' ' OG1' ' A' ' 18' ' ' THR . 26.9 t80 -126.99 121.99 33.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.212 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.452 ' ND2' ' H ' ' A' ' 34' ' ' THR . 63.2 t30 -85.25 116.75 23.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.693 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.617 HG23 ' HB3' ' A' ' 16' ' ' MET . 6.4 t -86.18 -3.77 59.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.621 179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -85.06 -50.29 7.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.042 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.452 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 36.0 m -91.25 -17.51 25.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.139 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp 70.41 65.35 0.2 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.841 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -160.02 165.13 32.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.137 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.59 147.45 27.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.653 178.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.5 ' N ' ' HG3' ' B' ' 9' ' ' PRO . 12.6 t -142.56 157.18 44.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.137 0.494 . . . . 0.0 112.11 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.546 ' CH2' HD11 ' B' ' 8' ' ' LEU . 90.4 m95 -103.5 157.89 16.73 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.282 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 63.13 139.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.158 0.504 . . . . 0.0 111.409 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -58.4 127.69 81.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo . . . . . 0 C--N 1.349 0.553 0 C-N-CA 122.559 2.173 . . . . 0.0 112.092 179.844 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 6.0 Cg_exo . . . . . 0 N--CA 1.463 -0.275 0 N-CA-C 111.951 -0.057 . . . . 0.0 111.951 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.461 ' HB3' ' CG ' ' A' ' 30' ' ' TYR . 3.7 Cg_exo -77.93 149.33 25.83 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.799 2.333 . . . . 0.0 112.528 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -78.47 149.17 24.04 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.599 2.199 . . . . 0.0 112.235 -179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.546 HD11 ' CH2' ' A' ' 39' ' ' TRP . 14.6 tp -78.0 147.1 72.99 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.125 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.5 ' HG3' ' N ' ' A' ' 38' ' ' THR . 2.5 Cg_endo -78.85 149.37 23.02 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.598 2.199 . . . . 0.0 112.025 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.206 1.937 . . . . 0.0 112.21 179.625 . . . . . . . . 0 0 . 1 stop_ save_