data_2eyb_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 2eyb _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 ' 1' ' ' THR . . . . . 0.612 HG22 ' HA ' ' A' ' 38' ' ' ALA . 9.7 p . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 t -94.72 107.68 19.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.714 0.768 . . . . 0.0 109.031 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.4 m -131.2 129.3 41.49 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.437 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.5 m -108.8 160.0 28.92 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.431 -173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -53.41 -64.87 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.022 2.481 . . . . 0.0 112.268 173.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -121.15 159.85 24.97 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.168 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.5 mm -57.92 -31.74 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.772 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.0 t -53.51 -42.65 50.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.743 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.26 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.804 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 10' ' ' ARG . 38.4 ttm-85 -66.47 -45.31 80.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.616 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 15' ' ' VAL . 48.0 m -64.99 -36.62 84.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.772 0.32 . . . . 0.0 110.25 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -60.37 -44.73 95.32 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -58.11 -43.21 87.05 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.822 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -62.62 -49.08 76.63 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.102 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 11' ' ' SER . 74.9 t -64.17 -37.42 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.079 0.466 . . . . 0.0 110.582 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.2 t -61.86 -45.27 94.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 23' ' ' GLU . 69.5 mtp180 -87.32 8.6 23.63 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.426 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.1 tp -58.88 -47.84 97.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.55 -178.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 83.5 Cg_endo -82.54 11.42 3.21 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.15 1.9 . . . . 0.0 113.001 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.97 7.74 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.962 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -76.61 137.41 67.08 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -45.44 136.44 11.74 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.274 2.649 . . . . 0.0 112.984 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 17' ' ' ARG . 1.5 pm0 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.461 -177.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.62 94.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.431 . . . . 0.0 110.591 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.64 -57.43 12.73 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.275 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.2 m -67.24 -35.49 79.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.679 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.42 99.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.557 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -71.2 -39.74 71.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.617 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.82 -35.35 80.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.5 p -87.67 -51.6 5.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.972 0.415 . . . . 0.0 111.71 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.02 21.84 3.38 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -173.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.98 138.9 32.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.1 pt -101.47 140.48 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.624 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.5 mt -111.34 100.67 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.134 0.492 . . . . 0.0 109.787 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 1' ' ' THR . 25.5 pt -109.6 151.94 42.52 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.935 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.99 -29.26 66.48 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.953 2.436 . . . . 0.0 112.661 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.26 142.88 23.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.11 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.612 ' HA ' HG22 ' A' ' 1' ' ' THR . . . -87.24 -15.72 37.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.024 0.44 . . . . 0.0 110.386 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 t -78.66 110.2 13.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.693 0.759 . . . . 0.0 111.587 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.6 m -122.14 122.8 27.45 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 171.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.28 152.21 77.82 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.481 2.121 . . . . 0.0 111.002 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.8 -22.46 33.75 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.257 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.9 -35.74 69.34 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 123.219 0.608 . . . . 0.0 111.714 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -135.13 17.47 3.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.208 0.528 . . . . 0.0 110.813 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.93 85.82 5.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.042 0.448 . . . . 0.0 110.402 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 . . . . . 0 C--N 1.316 -0.887 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.158 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.3 m -115.37 126.15 54.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.758 0.313 . . . . 0.0 110.872 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.0 m -143.01 144.63 32.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.843 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 m -128.29 146.41 59.52 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.66 -171.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.497 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 7.9 Cg_exo -72.17 162.59 41.24 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.519 2.146 . . . . 0.0 110.73 172.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t 57.16 121.27 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.723 0.773 . . . . 0.0 112.787 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -58.62 -33.55 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.865 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.48 -43.73 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.447 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.548 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . . . -68.05 -44.77 75.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -64.29 -29.32 70.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 110.293 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 t -68.42 -55.6 11.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.474 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.548 ' ND2' ' HA ' ' A' ' 9' ' ' ALA . 9.4 p30 -70.03 -23.42 63.11 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.903 -177.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -55.1 -44.37 74.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.067 0.46 . . . . 0.0 110.232 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -72.44 -33.38 67.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.0 t -68.87 -28.01 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.205 0.526 . . . . 0.0 110.31 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.6 t -64.28 -35.23 80.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.554 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -87.2 -1.96 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.436 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -67.33 -52.12 30.51 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.743 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 22.9 Cg_exo -66.18 -24.4 51.55 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.047 1.832 . . . . 0.0 111.631 175.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.11 28.71 1.78 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.067 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -86.09 128.25 58.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.48 143.24 36.26 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.344 2.696 . . . . 0.0 113.242 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -37.47 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.452 -176.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.59 -53.66 53.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.791 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.24 -43.68 90.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.226 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -61.49 -37.02 82.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.687 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . . . -64.43 -48.98 73.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.988 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m -61.77 -33.26 73.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.031 0.443 . . . . 0.0 111.333 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -77.89 -27.8 49.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.383 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.8 p -99.35 -24.84 14.68 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.77 14.59 36.71 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.552 ' HB3' ' HA ' ' A' ' 27' ' ' ALA . 49.7 t -76.44 152.26 36.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.182 -0.509 . . . . 0.0 110.259 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.9 pt -116.77 138.92 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.388 0.613 . . . . 0.0 111.677 -176.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.8 mt -109.5 104.87 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.467 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 pt -109.56 142.37 25.57 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.3 -175.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.7 -11.83 22.1 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.696 2.264 . . . . 0.0 112.079 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.77 149.17 49.37 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.06 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.24 66.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.724 0.297 . . . . 0.0 111.358 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 m -119.05 140.28 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.415 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.8 m -82.05 144.63 51.42 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.446 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -58.86 142.05 98.65 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.492 2.128 . . . . 0.0 111.944 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.4 -25.29 40.85 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.963 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.18 -34.91 64.25 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.746 0.308 . . . . 0.0 111.409 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -116.01 26.04 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.142 0.496 . . . . 0.0 110.892 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.8 86.82 6.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.039 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.676 0.274 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.408 ' HA ' HD11 ' A' ' 34' ' ' ILE . 7.3 m -86.79 127.62 35.01 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.212 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -126.45 108.84 11.56 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.5 m -110.24 145.21 31.68 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.746 -0.207 . . . . 0.0 110.914 -174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.668 ' HA ' ' HD1' ' A' ' 44' ' ' TYR . 82.5 Cg_exo -50.98 -69.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.502 2.801 . . . . 0.0 113.33 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -118.48 170.96 8.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.561 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.39 -33.11 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.66 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.0 -39.37 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.51 90.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.771 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -66.24 -35.98 81.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.766 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.506 ' O ' HG21 ' A' ' 15' ' ' VAL . 24.1 t -59.82 -49.89 75.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.138 178.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -70.0 -31.22 68.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -55.18 -46.45 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.233 173.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -67.54 -35.52 79.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.076 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.506 HG21 ' O ' ' A' ' 11' ' ' SER . 83.9 t -62.42 -43.88 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.481 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.565 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 33.8 t -67.63 -37.8 82.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.883 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.772 ' HE ' ' HG2' ' A' ' 23' ' ' GLU . 43.0 ttt-85 -83.54 2.17 38.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.866 -175.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 49.0 tp -77.28 -51.05 2.06 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.027 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.581 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 16.5 Cg_exo -69.37 -10.97 30.27 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.03 1.82 . . . . 0.0 112.756 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.84 35.73 2.33 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.783 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.673 ' HB ' ' SG ' ' A' ' 26' ' ' CYS . 1.9 m -90.94 134.79 29.6 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.713 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 76.3 Cg_exo -42.14 136.29 3.77 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.546 2.831 . . . . 0.0 113.697 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.772 ' HG2' ' HE ' ' A' ' 17' ' ' ARG . 29.6 mt-10 -56.77 -54.07 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.04 -175.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -32.71 74.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.275 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.713 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -63.18 -54.89 30.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.298 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.673 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 87.6 m -58.58 -32.44 68.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.16 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.03 -60.58 3.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.385 . . . . 0.0 110.585 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -65.75 -33.66 76.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.194 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.53 -36.6 81.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.232 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 m -100.69 -38.52 8.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.601 -172.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.51 63.09 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.782 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.9 t -152.66 149.59 28.58 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.1 pt -110.93 138.41 39.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.313 0.577 . . . . 0.0 111.884 -174.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 HD11 ' HA ' ' A' ' 2' ' ' THR . 46.0 mm -102.19 139.45 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.097 175.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 46.7 pt -135.0 148.0 65.07 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.378 177.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 4.6 Cg_exo -78.23 10.96 2.51 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.009 2.472 . . . . 0.0 112.107 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.29 158.83 17.32 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.24 -45.18 23.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.741 0.305 . . . . 0.0 111.427 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.4 m -92.07 126.15 37.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.644 -174.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.7 m -87.84 142.21 32.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.276 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.69 141.8 98.0 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.302 2.001 . . . . 0.0 111.134 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.51 -23.08 60.02 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.963 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.4 -33.43 75.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.945 0.402 . . . . 0.0 110.481 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.668 ' HD1' ' HA ' ' A' ' 5' ' ' PRO . 53.2 m-85 -131.02 42.78 3.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.328 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.48 85.48 2.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.198 0.523 . . . . 0.0 110.458 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.244 0.785 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.075 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.499 ' HG1' ' HA ' ' A' ' 39' ' ' THR . 2.8 m . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.606 HG23 HG12 ' A' ' 34' ' ' ILE . 2.5 m -113.69 115.91 28.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.932 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.784 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 24.7 m -133.84 128.59 35.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.363 -171.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.0 m -107.66 154.68 40.72 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.432 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.05 -68.99 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.246 2.63 . . . . 0.0 112.48 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -118.8 168.42 10.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.385 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.89 -27.71 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.962 0.411 . . . . 0.0 110.29 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.48 -35.91 66.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.227 0.537 . . . . 0.0 109.783 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -36.64 76.4 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.409 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttm-85 -63.59 -41.03 98.37 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.5 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.585 ' HA ' HD22 ' A' ' 14' ' ' ASN . 49.4 m -61.04 -50.71 72.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.047 0.451 . . . . 0.0 110.233 175.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -58.08 -36.16 72.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.648 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.545 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 85.1 t80 -59.33 -54.32 48.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.766 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.585 HD22 ' HA ' ' A' ' 11' ' ' SER . 10.3 p30 -73.09 -27.41 61.7 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.091 -175.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 11' ' ' SER . 73.2 t -66.6 -37.13 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.539 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 37.9 t -67.38 -36.94 82.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -80.75 -13.54 58.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.937 -176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 55.1 tp -61.02 -49.71 87.78 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 24.0 Cg_exo -66.52 -0.42 4.37 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.402 2.068 . . . . 0.0 113.555 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.33 19.05 17.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.348 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -80.6 138.05 51.15 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.555 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 53.8 Cg_exo -52.02 146.7 28.82 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.172 2.581 . . . . 0.0 113.568 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 38.8 tt0 -63.84 -49.67 71.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.03 -178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -34.85 78.34 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.099 0.476 . . . . 0.0 110.843 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.555 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.8 tt -62.51 -54.83 34.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.881 177.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -66.34 -29.69 69.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.571 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.2 -51.18 71.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 0.0 110.013 175.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -70.29 -32.8 70.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.614 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.17 -32.64 74.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.976 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 m -102.26 -39.59 7.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.512 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.49 12.6 6.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.122 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.7 m -85.4 143.0 28.87 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 pt -105.71 137.43 35.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.057 0.456 . . . . 0.0 110.844 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.606 HG12 HG23 ' A' ' 2' ' ' THR . 71.0 mt -118.88 98.03 5.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.46 176.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.5 pt -111.65 137.03 21.09 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.929 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -88.96 1.05 6.17 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.699 2.266 . . . . 0.0 112.462 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.67 117.43 5.71 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.986 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 49.56 -94.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 124.409 1.083 . . . . 0.0 112.977 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.499 ' HA ' ' HG1' ' A' ' 1' ' ' THR . 5.1 t -163.94 175.96 9.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.784 -172.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.574 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 18.6 m -97.75 158.15 33.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.47 140.12 82.59 Favored 'Trans proline' 0 C--O 1.239 0.544 0 C-N-CA 122.383 2.055 . . . . 0.0 111.363 173.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.76 62.45 2.81 Favored Glycine 0 N--CA 1.454 -0.146 0 CA-C-N 116.325 -0.398 . . . . 0.0 113.117 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -171.03 -33.11 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -99.41 6.24 46.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.558 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.784 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -102.7 86.44 2.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.091 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 . . . . . 0 C--O 1.243 0.74 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.612 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.857 0.36 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.2 m -91.78 130.39 37.57 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.24 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.3 m -134.25 148.13 50.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.173 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.8 t -155.32 143.46 14.38 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -172.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 2.7 Cg_exo -77.65 160.0 31.59 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.498 2.132 . . . . 0.0 111.094 170.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t 59.5 124.72 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.846 0.831 . . . . 0.0 112.641 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' A' ' 46' ' ' ASN . 45.5 mm -60.52 -33.75 55.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.205 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.14 -35.75 75.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.986 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.98 90.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.881 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttm-85 -66.82 -33.53 75.82 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 110.101 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.438 ' O ' HG22 ' A' ' 15' ' ' VAL . 45.8 m -65.07 -45.85 83.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.101 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.49 -38.54 81.14 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' HZ ' ' HB2' ' A' ' 23' ' ' GLU . 51.3 t80 -56.54 -47.36 79.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.983 175.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -66.58 -40.69 89.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.372 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 11' ' ' SER . 99.7 t -62.66 -37.87 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.893 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.6 t -66.54 -38.88 88.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.213 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 21' ' ' THR . 75.1 ttt180 -80.24 -22.63 41.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.754 -175.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.535 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.8 tp -51.45 -51.29 70.55 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.7 Cg_exo -74.41 12.21 1.12 Allowed 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.531 2.154 . . . . 0.0 113.707 -175.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.02 57.03 1.17 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.204 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.561 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 3.2 m -128.5 131.88 24.03 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.77 136.92 73.48 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.971 2.448 . . . . 0.0 112.272 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' HB2' ' HZ ' ' A' ' 13' ' ' PHE . 12.9 pt-20 -61.72 -38.01 86.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.927 -174.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.21 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.72 -50.81 69.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.2 m -66.47 -37.45 85.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.792 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.57 89.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.989 0.423 . . . . 0.0 110.523 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -68.1 -25.7 65.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.188 0.518 . . . . 0.0 110.523 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -78.13 -35.34 49.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.971 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.2 p -87.46 -16.05 35.9 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.21 22.06 16.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.081 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.9 m -94.34 162.74 13.71 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 pt -117.54 143.63 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.979 0.419 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 82.6 mt -118.37 118.4 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 pt -113.4 145.5 33.41 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -64.5 -19.55 65.21 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.912 2.408 . . . . 0.0 111.598 175.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.8 154.96 45.64 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.959 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.58 -29.32 41.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.9 m -139.47 135.53 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.879 0.371 . . . . 0.0 111.215 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.1 m -94.72 164.96 18.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.818 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.47 125.79 19.44 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 121.83 1.686 . . . . 0.0 110.361 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.73 -18.68 62.02 Favored Glycine 0 N--CA 1.455 -0.06 0 C-N-CA 121.363 -0.446 . . . . 0.0 113.061 -173.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.94 -32.15 71.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 110.178 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -102.83 -4.56 24.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.006 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.23 101.64 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.053 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.531 ' HB3' HD13 ' A' ' 7' ' ' ILE . 13.3 m120 . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.438 -0.792 . . . . 0.0 109.722 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.609 0.242 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 m -103.44 131.94 50.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.694 0.283 . . . . 0.0 110.547 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.5 m -124.79 105.78 9.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.027 0.441 . . . . 0.0 110.233 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.516 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 78.3 m -106.48 142.05 24.09 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 -177.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -43.73 -66.15 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.378 2.719 . . . . 0.0 112.795 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -120.18 160.62 22.55 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.762 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.03 -31.2 36.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.972 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.9 t -53.36 -37.07 28.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.405 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -67.75 -40.12 84.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.849 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -68.99 -40.69 78.62 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 110.444 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -58.85 -43.31 90.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.412 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -73.93 -31.49 63.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -57.03 -49.76 74.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.746 0.308 . . . . 0.0 110.973 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -63.9 -40.98 97.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.8 t -62.65 -42.33 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.956 0.408 . . . . 0.0 110.583 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.532 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 41.6 t -64.05 -32.68 74.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.366 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.57 ' HD2' ' HG3' ' A' ' 23' ' ' GLU . 18.4 ttp180 -87.61 3.62 46.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 111.119 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.587 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 5.4 tt -74.87 -49.48 4.42 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.4 Cg_exo -75.46 -169.52 0.67 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.028 1.818 . . . . 0.0 111.303 171.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.36 71.21 2.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.696 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.72 127.45 22.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.7 152.65 77.03 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.962 2.442 . . . . 0.0 113.028 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.57 ' HG3' ' HD2' ' A' ' 17' ' ' ARG . 7.0 mp0 -62.44 -49.53 75.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.636 -177.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.22 -32.52 70.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.109 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.41 -54.47 16.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.2 m -60.92 -36.87 80.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.728 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -57.49 12.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.6 m -65.43 -32.71 74.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.855 0.359 . . . . 0.0 111.0 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -64.07 -34.53 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p -92.26 -12.23 33.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.119 0.485 . . . . 0.0 111.006 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.98 14.11 65.27 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.737 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.0 t -92.5 157.63 16.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 pt -125.9 137.74 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.233 0.539 . . . . 0.0 111.273 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.3 mt -104.79 112.74 39.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.854 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 41.8 pt -97.1 143.27 25.83 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.833 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 14.5 Cg_exo -69.56 -16.05 38.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 123.101 2.534 . . . . 0.0 111.921 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.65 140.8 26.6 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.035 -0.603 . . . . 0.0 111.851 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.39 -7.93 58.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.657 0.265 . . . . 0.0 111.553 -176.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -114.03 106.21 14.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.843 0.354 . . . . 0.0 111.106 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 46.5 t -93.41 131.09 33.43 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 37.5 Cg_exo -57.78 128.23 28.29 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.62 2.213 . . . . 0.0 111.639 178.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.47 52.42 Favored Glycine 0 C--N 1.329 0.16 0 O-C-N 123.365 0.416 . . . . 0.0 113.195 -175.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.07 -42.97 96.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.987 0.423 . . . . 0.0 111.469 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -97.45 -5.2 36.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.144 -175.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.36 87.0 5.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.241 0.543 . . . . 0.0 110.498 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 36.8 m-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.396 -0.812 . . . . 0.0 109.545 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.425 ' HA ' ' OE1' ' A' ' 23' ' ' GLU . 26.6 m . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -81.41 140.96 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.311 0.577 . . . . 0.0 111.571 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.3 m -116.27 134.32 55.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.468 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.477 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . 71.8 m -109.77 147.02 35.29 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.054 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -48.03 -72.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.653 2.902 . . . . 0.0 113.065 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -118.82 169.29 9.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.218 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -57.54 -29.86 35.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.015 0.436 . . . . 0.0 110.643 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -52.47 -48.35 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.654 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB1' ' HB3' ' A' ' 4' ' ' CYS . . . -64.03 -40.69 96.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.948 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -63.93 -41.0 97.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.023 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.8 p -62.91 -32.62 73.94 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.769 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.51 -39.95 67.22 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -60.33 -41.11 92.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.788 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -56.09 -43.58 78.19 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.395 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.44 -41.13 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.745 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.1 t -61.03 -37.43 82.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.508 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 21' ' ' THR . 10.2 ttp180 -88.98 8.88 27.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.046 0.45 . . . . 0.0 111.436 -175.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.546 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.4 tm? -58.68 -49.96 90.63 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.202 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 13.5 Cg_exo -71.42 -2.58 11.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 122.311 2.008 . . . . 0.0 113.291 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.67 26.65 12.76 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.257 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 5.4 m -72.1 129.93 87.15 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -51.01 144.06 29.16 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.838 2.359 . . . . 0.0 112.17 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' OE1' ' HA ' ' A' ' 1' ' ' THR . 13.5 pt-20 -62.95 -35.21 79.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.758 -172.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.91 94.17 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.939 0.4 . . . . 0.0 110.981 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.47 -49.9 74.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.076 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.4 m -69.2 -31.7 70.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.763 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.87 -49.51 73.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.798 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.4 m -67.08 -25.26 66.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.073 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.54 -13.54 48.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.165 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m -114.42 -27.85 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.667 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.75 19.21 9.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.162 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.6 m -91.88 158.19 16.44 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.4 pt -98.23 154.87 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 110.653 -177.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -115.46 110.87 33.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.166 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 pt -114.12 147.2 37.33 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.155 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.92 25.5 0.63 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.937 2.424 . . . . 0.0 112.075 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.71 157.46 16.18 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.834 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.14 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 t -123.51 164.2 19.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.989 0.423 . . . . 0.0 111.345 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.8 m -101.07 148.66 35.41 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.322 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.45 146.26 91.07 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.267 2.645 . . . . 0.0 112.719 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.0 61.83 2.13 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.798 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -170.2 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.57 0.7 . . . . 0.0 109.116 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -116.69 14.0 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.539 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.11 87.6 6.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.257 177.4 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.456 ' H1 ' HG13 ' A' ' 35' ' ' ILE . 4.0 m . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.775 HG21 HG12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -79.31 118.53 21.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.313 0.245 . . . . 0.0 110.59 177.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.3 m -106.68 103.5 12.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.4 m -105.45 162.86 18.43 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.713 -0.222 . . . . 0.0 110.877 -175.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -70.48 -149.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.158 2.572 . . . . 0.0 111.663 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -41.7 143.35 0.52 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.752 0.421 . . . . 0.0 111.847 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.1 mm -49.22 -38.72 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.448 -172.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.1 t -61.3 -34.28 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.975 0.416 . . . . 0.0 111.175 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.03 94.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.349 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 52.1 ttm-85 -64.85 -37.1 86.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.06 0.457 . . . . 0.0 110.428 177.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 15' ' ' VAL . 17.8 m -61.3 -46.2 91.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.415 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.27 -37.6 88.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.215 0.531 . . . . 0.0 110.141 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.681 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 65.2 t80 -58.18 -43.97 87.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.95 176.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.88 -36.17 77.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.886 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 11' ' ' SER . 82.5 t -60.99 -40.51 85.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.371 . . . . 0.0 110.275 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.509 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 35.8 t -62.51 -38.75 91.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.126 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -79.82 -15.17 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.76 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.4 tm? -56.45 -52.29 74.41 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-O 119.44 -0.314 . . . . 0.0 111.605 -176.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 15.7 Cg_exo -70.23 7.63 1.08 Allowed 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.34 2.027 . . . . 0.0 113.426 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.1 36.72 6.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.233 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -94.47 133.04 27.61 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.431 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 72.5 Cg_exo -49.44 142.4 23.14 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.097 2.531 . . . . 0.0 113.11 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.681 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 48.8 tt0 -60.92 -46.47 90.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.841 -177.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -36.33 80.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.946 0.403 . . . . 0.0 111.068 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -64.19 -51.73 62.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.069 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.8 m -67.89 -29.52 68.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.522 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.64 80.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.249 0.547 . . . . 0.0 110.102 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 m -80.73 -39.67 26.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.613 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -64.98 -41.38 95.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.658 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 m -102.72 -42.85 5.75 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.266 -172.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.29 89.97 0.93 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.279 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.409 ' SG ' HG22 ' A' ' 2' ' ' THR . 43.4 t -167.5 155.71 9.31 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 pt -115.41 145.99 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.332 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.775 HG12 HG21 ' A' ' 2' ' ' THR . 50.2 mt -121.68 117.9 54.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.988 -175.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.456 HG13 ' H1 ' ' A' ' 1' ' ' THR . 19.8 pt -97.52 121.1 59.26 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 169.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.8 -11.35 28.86 Favored 'Trans proline' 0 N--CA 1.474 0.365 0 C-N-CA 123.09 2.526 . . . . 0.0 113.294 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.77 159.05 27.93 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 75.87 146.31 0.09 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.17 162.53 25.7 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.1 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 57.7 m -80.44 140.8 52.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.33 141.65 98.0 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.199 . . . . 0.0 111.426 175.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.23 -28.72 50.7 Favored Glycine 0 C--N 1.331 0.298 0 O-C-N 123.314 0.384 . . . . 0.0 113.032 -176.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.72 -44.48 90.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.0 111.532 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -116.42 21.3 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.331 0.586 . . . . 0.0 110.154 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.34 86.84 7.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.285 0.564 . . . . 0.0 110.216 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m120 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.43 178.438 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.48 0.181 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.627 HG22 HG12 ' A' ' 34' ' ' ILE . 4.7 m -79.41 111.52 15.75 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 172.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.6 m -137.04 105.47 5.77 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.36 0.6 . . . . 0.0 110.881 -172.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.439 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 20.1 m -107.04 162.53 19.4 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.615 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.87 -153.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.653 2.235 . . . . 0.0 111.909 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.471 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 13.2 t -41.94 142.71 0.65 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.325 0.25 . . . . 0.0 111.547 -178.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.7 mt -41.51 -42.45 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.009 0.924 . . . . 0.0 112.591 -171.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -53.76 -36.74 30.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.718 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.01 84.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.746 0.308 . . . . 0.0 110.92 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 13.6 ttp85 -67.35 -34.91 78.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.068 0.461 . . . . 0.0 110.251 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.482 ' O ' HG22 ' A' ' 15' ' ' VAL . 17.7 m -64.37 -44.67 90.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.322 175.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -60.27 -36.97 79.04 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -58.15 -44.69 88.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.112 0.482 . . . . 0.0 110.371 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 17' ' ' ARG . 34.6 m-80 -73.41 -18.69 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.736 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 11' ' ' SER . 96.3 t -67.43 -38.13 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.049 0.452 . . . . 0.0 109.881 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.771 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 30.7 t -78.72 -26.65 44.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.674 0.75 . . . . 0.0 110.169 176.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 22.0 tpt180 -76.98 -7.17 55.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.287 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.625 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 43.6 tp -77.47 -52.99 1.65 Allowed Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.886 -177.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 12.6 Cg_exo -70.97 -36.44 7.6 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.924 1.749 . . . . 0.0 112.053 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.58 39.43 0.62 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.735 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.771 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 26.0 m -92.16 142.52 26.32 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.562 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 78.1 Cg_exo -35.38 123.23 0.23 Allowed 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.68 2.92 . . . . 0.0 113.67 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.02 -45.34 85.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.126 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.37 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.975 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.2 tt -58.23 -59.09 5.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.212 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.4 m -75.07 -19.12 60.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.268 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.09 -45.92 75.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.218 0.532 . . . . 0.0 109.687 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -69.24 -31.07 69.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.105 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -70.89 -28.24 64.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.555 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -96.05 -3.16 45.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.752 0.31 . . . . 0.0 111.456 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.49 26.17 61.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.409 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.4 t -98.69 158.45 15.61 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.5 pt -122.93 137.18 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.235 0.54 . . . . 0.0 110.792 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.627 HG12 HG22 ' A' ' 2' ' ' THR . 73.7 mt -117.48 97.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.0 pt -107.09 154.31 40.47 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.757 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -77.1 -7.7 17.33 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.508 2.139 . . . . 0.0 112.274 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.1 -179.12 24.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.452 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.13 -7.56 19.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.684 -0.304 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 m -72.72 81.65 1.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.241 0.543 . . . . 0.0 111.025 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 77.2 m -109.01 132.12 21.38 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.065 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.95 151.11 80.28 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.719 2.279 . . . . 0.0 111.546 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.7 -26.8 63.06 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 121.308 -0.472 . . . . 0.0 112.36 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.95 -22.13 65.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.192 0.52 . . . . 0.0 110.396 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -108.14 24.43 13.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.623 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.62 100.23 7.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.741 0.305 . . . . 0.0 111.059 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.471 ' OD1' ' HA ' ' A' ' 6' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.217 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.727 ' HB ' HG23 ' A' ' 35' ' ' ILE . 7.3 m . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.3 m -129.67 136.61 49.93 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 122.326 -0.233 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m -124.53 122.69 38.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.008 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -127.79 147.7 63.95 Favored Pre-proline 0 C--N 1.317 -0.827 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.318 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -69.44 148.49 67.24 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.695 1.597 . . . . 0.0 112.895 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t 45.38 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.427 -1.261 . . . . 0.0 111.513 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.737 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 47.6 mt -91.06 -23.04 6.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 t -55.91 -45.76 80.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.484 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . . . -65.91 -40.31 91.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.375 -175.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 17.8 ttm180 -66.97 -39.86 87.33 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.41 ' O ' HG21 ' A' ' 15' ' ' VAL . 37.5 t -56.88 -50.77 71.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.978 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -67.73 -32.84 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -60.22 -51.66 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.588 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.79 -41.78 99.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.937 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.492 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 77.4 t -61.62 -42.82 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.215 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 36.9 t -63.49 -40.31 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.429 . . . . 0.0 111.25 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -75.54 -20.54 58.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 54.5 tp -58.89 -51.5 81.41 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 -175.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 23.3 Cg_exo -65.83 -12.28 34.53 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.123 1.882 . . . . 0.0 112.934 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.03 5.35 15.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.642 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -66.8 134.74 94.15 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.549 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 88.7 Cg_exo -47.85 133.08 22.39 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.167 2.578 . . . . 0.0 113.04 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -43.77 90.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.902 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.45 84.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.9 tt -63.3 -50.23 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.995 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.9 m -62.84 -37.06 85.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.72 95.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.699 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.8 m -70.8 -32.13 69.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.711 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -72.25 -39.71 68.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.104 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.7 p -82.81 -37.32 24.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 0.0 111.107 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.97 36.55 2.15 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.768 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 66.3 m -92.96 147.4 22.87 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.57 138.24 30.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 110.289 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.0 mt -96.57 113.84 31.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.508 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.727 HG23 ' HB ' ' A' ' 1' ' ' THR . 4.6 tt -112.7 124.84 30.97 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.894 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 16.1 Cg_exo -70.07 -14.64 35.34 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 123.125 2.55 . . . . 0.0 112.269 177.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.419 ' H ' HG12 ' A' ' 35' ' ' ILE . . . -106.66 -168.46 22.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.131 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.08 1.71 11.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.764 0.316 . . . . 0.0 111.435 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.73 98.11 6.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.497 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -134.6 132.49 20.76 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.24 141.38 31.49 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.422 2.748 . . . . 0.0 113.028 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.47 51.47 2.58 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.718 -178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -171.08 -35.66 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -92.49 -11.5 34.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.187 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.65 87.9 3.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.677 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.737 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 2.1 t30 . . . . . 0 C--O 1.244 0.765 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 t -135.66 149.37 49.27 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.312 0.577 . . . . 0.0 111.912 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 18.9 m -132.72 114.16 13.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.64 175.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.9 m -105.3 152.15 39.78 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.299 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.59 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 51.4 Cg_exo -59.28 -131.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.481 0.739 0 C-N-CA 123.576 2.851 . . . . 0.0 113.199 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -56.36 161.63 2.48 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 121.983 -0.448 . . . . 0.0 110.729 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.668 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 63.7 mt -47.91 -38.2 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.735 -175.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.74 -44.93 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.794 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.12 85.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.978 0.418 . . . . 0.0 110.796 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -65.4 -38.18 89.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.138 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.477 ' O ' HG21 ' A' ' 15' ' ' VAL . 20.3 t -63.86 -50.42 68.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.951 177.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.03 -41.1 74.44 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.693 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -57.37 -50.25 73.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.757 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -71.57 -32.14 67.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.718 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.477 HG21 ' O ' ' A' ' 11' ' ' SER . 95.2 t -67.24 -40.54 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.098 0.475 . . . . 0.0 109.973 175.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.491 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 50.6 t -69.69 -34.31 73.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.988 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.523 ' HD3' ' HA ' ' A' ' 23' ' ' GLU . 19.0 mmm180 -81.4 2.07 30.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.446 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.548 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 2.0 tm? -77.7 -53.36 1.53 Allowed Pre-proline 0 CA--C 1.539 0.536 0 CA-C-O 119.481 -0.295 . . . . 0.0 111.025 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 14.7 Cg_exo -69.67 -23.82 30.79 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.03 1.82 . . . . 0.0 112.377 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.55 6.0 6.87 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.297 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.458 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 5.4 m -65.87 129.29 94.26 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 21' ' ' THR . 51.2 Cg_exo -54.68 145.77 58.13 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.44 2.76 . . . . 0.0 113.124 -175.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.523 ' HA ' ' HD3' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -66.28 -29.94 70.27 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.415 -175.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.49 77.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.058 0.456 . . . . 0.0 110.19 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.01 -55.12 36.62 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.273 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.1 m -55.68 -48.13 75.59 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.929 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.29 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.967 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -60.82 -31.73 71.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.077 0.465 . . . . 0.0 111.28 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -75.46 -38.51 59.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.282 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -93.21 -15.63 25.71 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.794 0.331 . . . . 0.0 111.422 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.69 32.88 5.78 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.5 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.8 t -108.24 155.47 20.44 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.6 pt -112.49 143.58 21.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.238 0.542 . . . . 0.0 112.159 -175.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.6 mt -104.87 121.98 57.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.551 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.503 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 2.6 pt -142.1 166.28 22.37 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.607 -172.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HD2' ' HB ' ' A' ' 35' ' ' ILE . 32.3 Cg_endo -66.0 -49.62 2.02 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.399 176.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.24 173.96 18.85 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.845 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 75.73 -41.22 0.43 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.942 0.897 . . . . 0.0 111.053 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.49 ' O ' HD13 ' A' ' 35' ' ' ILE . 38.5 m -86.75 107.6 18.32 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.4 176.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 t -152.35 101.76 2.77 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.512 ' HB2' ' HD2' ' A' ' 44' ' ' TYR . 31.3 Cg_exo -60.35 156.95 38.02 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.79 2.326 . . . . 0.0 112.028 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.43 -36.42 92.51 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.099 -175.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.59 ' O ' ' HA ' ' A' ' 5' ' ' PRO . 10.2 p-10 -86.79 2.28 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.512 ' HD2' ' HB2' ' A' ' 41' ' ' PRO . 87.2 m-85 -121.29 14.62 11.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.75 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.91 86.57 3.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.871 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.668 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 4.3 t30 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.591 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.01 0.433 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.502 HG22 ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -131.4 144.14 50.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.318 -172.638 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 m -130.33 122.28 27.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 88.1 m -102.56 155.22 36.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.073 0.463 . . . . 0.0 111.627 -172.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 32' ' ' CYS . 22.7 Cg_exo -67.88 -76.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.885 2.39 . . . . 0.0 113.041 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -91.31 150.67 21.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.234 -177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.406 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 50.4 mt -57.95 -46.3 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -177.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.51 -38.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.23 -4.08 30.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 26.7 ttt-85 -94.6 -44.29 7.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.931 175.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.45 ' O ' HG21 ' A' ' 15' ' ' VAL . 35.9 m -64.87 -44.47 89.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.49 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -70.0 -26.64 64.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.91 0.386 . . . . 0.0 110.216 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.435 ' HB2' HG22 ' A' ' 30' ' ' THR . 75.7 t80 -65.78 -45.11 83.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.993 173.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.9 -35.6 80.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.976 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 11' ' ' SER . 58.9 t -67.2 -38.14 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 110.197 176.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.457 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 46.0 t -68.9 -24.71 64.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.389 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -82.3 -10.02 59.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.868 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.555 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -69.87 -51.79 14.51 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.983 -179.014 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 4.1 Cg_exo -75.23 -171.51 1.02 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.024 1.816 . . . . 0.0 111.49 176.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.62 47.49 3.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.499 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -100.33 125.67 38.7 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.86 147.34 81.81 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.01 2.473 . . . . 0.0 112.939 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -54.23 -47.66 71.96 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.603 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -43.85 83.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.61 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.27 -53.58 56.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.277 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -66.1 -35.85 81.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.341 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.46 86.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.224 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 m -61.57 -46.71 88.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.129 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -65.77 -31.62 72.71 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.739 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.435 HG22 ' HB2' ' A' ' 13' ' ' PHE . 19.6 p -89.58 -14.9 34.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.782 0.325 . . . . 0.0 111.799 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.46 13.97 80.84 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -173.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.52 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 15.0 t -81.56 156.84 25.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 pt -119.72 137.58 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.187 0.518 . . . . 0.0 111.707 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.0 mt -89.88 125.9 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.591 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 pt -94.47 133.21 27.35 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.101 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -76.4 -6.66 17.31 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.764 2.309 . . . . 0.0 112.096 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.37 -173.1 45.98 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.112 -0.565 . . . . 0.0 112.015 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.7 -36.05 10.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.914 0.387 . . . . 0.0 110.923 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.1 t -115.6 153.18 31.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.023 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.8 t -89.21 141.1 28.94 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.165 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.25 167.49 7.6 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.05 2.5 . . . . 0.0 112.335 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.06 -37.3 8.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.278 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.51 -35.49 80.63 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.538 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -110.82 27.11 9.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.913 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.81 100.27 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.486 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.583 ' HB3' ' O ' ' A' ' 4' ' ' CYS . 27.8 t-20 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.97 -1.014 . . . . 0.0 108.494 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.08 0.467 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.42 HG22 ' SG ' ' A' ' 32' ' ' CYS . 6.3 m -116.05 125.57 52.61 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.132 -176.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.9 m -124.93 113.22 17.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.068 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.8 m -101.33 152.71 38.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.181 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 44' ' ' TYR . 16.2 Cg_exo -69.91 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.763 2.309 . . . . 0.0 112.527 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -70.74 149.08 47.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.353 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.541 HG12 ' ND2' ' A' ' 46' ' ' ASN . 51.2 mt -61.62 -43.01 96.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.182 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.49 -29.56 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.56 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.76 96.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.315 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -65.67 -41.1 92.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.71 0.29 . . . . 0.0 110.506 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.496 ' O ' HG22 ' A' ' 15' ' ' VAL . 13.6 m -57.96 -48.72 79.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.04 -37.32 87.0 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.1 0.476 . . . . 0.0 110.39 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -61.83 -38.72 89.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.322 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.09 -32.47 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 11' ' ' SER . 88.9 t -66.86 -35.04 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.076 0.465 . . . . 0.0 110.197 175.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.719 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 6.7 t -61.64 -45.96 91.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.509 . . . . 0.0 111.238 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.936 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 68.5 mtp180 -85.26 10.35 12.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.475 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.508 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 6.4 tt -76.31 -56.71 1.49 Allowed Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.23 177.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.508 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 39.4 Cg_endo -69.49 -51.25 0.42 Allowed 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 121.358 1.372 . . . . 0.0 111.671 175.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.92 55.03 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.3 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.719 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 8.0 m -111.3 134.48 21.12 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.91 143.35 82.38 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.144 2.562 . . . . 0.0 113.515 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.936 ' HG2' ' HD2' ' A' ' 17' ' ' ARG . 41.9 mt-10 -55.58 -58.15 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.722 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.08 -37.83 67.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.639 -174.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.68 -52.8 63.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.899 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.5 m -81.59 -25.4 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.937 -175.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.56 95.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.94 0.4 . . . . 0.0 110.325 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.2 m -72.88 -26.23 61.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.879 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.25 -30.65 18.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.938 0.399 . . . . 0.0 111.789 -175.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -102.93 -22.15 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.423 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.99 84.63 1.74 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.939 -177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.42 ' SG ' HG22 ' A' ' 2' ' ' THR . 35.2 t -164.92 154.45 13.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.7 pt -117.21 141.77 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.042 0.449 . . . . 0.0 111.479 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.404 HG12 HG21 ' A' ' 2' ' ' THR . 59.3 mt -115.19 121.74 67.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.819 176.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.2 pt -131.69 152.79 80.99 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.773 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -88.19 9.86 3.6 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.788 2.325 . . . . 0.0 111.853 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.66 -142.88 6.55 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.502 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.75 -42.98 0.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.7 m -86.11 102.12 13.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.125 0.488 . . . . 0.0 112.007 -173.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.55 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 94.5 m -107.73 117.98 54.19 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 170.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.64 144.14 99.5 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.594 2.196 . . . . 0.0 111.441 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.04 -12.66 37.8 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.333 -0.46 . . . . 0.0 112.91 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.2 -24.84 64.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.746 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.544 ' CZ ' ' HG3' ' A' ' 5' ' ' PRO . 4.4 t80 -142.53 22.78 1.99 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.738 -173.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.55 ' HB1' ' HB3' ' A' ' 40' ' ' CYS . . . -125.85 92.46 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.715 -0.394 . . . . 0.0 112.045 -175.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.541 ' ND2' HG12 ' A' ' 7' ' ' ILE . 28.8 t-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.325 -0.845 . . . . 0.0 108.916 169.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.557 ' HG1' ' HA ' ' A' ' 38' ' ' ALA . 19.5 m . . . . . 0 N--CA 1.473 0.714 0 CA-C-O 120.967 0.413 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.527 HG23 ' SG ' ' A' ' 32' ' ' CYS . 5.3 m -99.13 122.52 42.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.615 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.6 m -122.41 110.27 15.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.191 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 58.7 m -98.99 146.97 32.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.828 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.64 -75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.255 2.637 . . . . 0.0 113.622 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -92.48 163.11 13.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.381 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.777 HG12 HD22 ' A' ' 46' ' ' ASN . 51.8 mt -57.28 -53.54 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-O 121.222 0.534 . . . . 0.0 110.6 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -56.79 -29.92 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.608 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.82 91.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.419 . . . . 0.0 110.368 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.545 ' HD2' ' OXT' ' A' ' 46' ' ' ASN . 61.8 ttt180 -76.22 -33.54 59.23 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.349 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 15' ' ' VAL . 15.0 m -58.51 -53.73 55.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 175.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -60.28 -34.39 73.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.249 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -58.23 -49.29 77.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.833 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -70.48 -39.85 73.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.944 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 11' ' ' SER . 86.1 t -65.19 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.696 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.545 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 39.5 t -70.11 -37.91 75.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.197 178.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -80.83 -8.82 59.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.558 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -63.0 -51.5 70.33 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -178.378 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 2.8 Cg_exo -78.01 -162.05 0.16 Allowed 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.303 2.002 . . . . 0.0 111.787 174.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.92 67.88 3.51 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.541 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -128.4 131.29 23.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 120.599 0.238 . . . . 0.0 110.415 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HG2' ' HB3' ' A' ' 25' ' ' LEU . 12.6 Cg_endo -57.95 134.91 65.43 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.09 2.526 . . . . 0.0 112.766 178.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -57.67 -44.57 85.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.785 -178.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.19 82.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.275 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.441 ' HB3' ' HG2' ' A' ' 22' ' ' PRO . 34.6 tp -68.63 -43.22 76.78 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.455 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.55 -36.75 85.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.724 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.52 73.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.007 0.432 . . . . 0.0 110.521 177.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.8 m -61.09 -39.48 90.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.916 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -68.44 -28.19 66.84 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.722 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -97.9 -16.38 19.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.923 0.392 . . . . 0.0 111.724 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.75 17.94 62.63 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -175.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.527 ' SG ' HG23 ' A' ' 2' ' ' THR . 26.5 t -89.45 157.72 18.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.5 pt -120.48 145.55 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.063 0.459 . . . . 0.0 111.589 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.5 mt -114.41 97.86 6.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.175 174.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.0 pt -98.89 149.76 36.05 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.731 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.24 -10.45 29.0 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.012 2.475 . . . . 0.0 112.295 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.8 160.7 54.16 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.557 ' HA ' ' HG1' ' A' ' 1' ' ' THR . . . -100.57 -2.58 32.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.898 0.38 . . . . 0.0 111.304 -177.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.6 t -129.5 148.93 51.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.369 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.9 m -93.7 137.41 23.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.489 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.63 166.66 26.68 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.916 2.41 . . . . 0.0 112.322 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.26 -7.76 68.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.884 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.88 -45.47 94.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -163.7 124.72 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.667 169.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.26 93.39 3.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.332 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.777 HD22 HG12 ' A' ' 7' ' ' ILE . 19.0 t-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.63 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 110.604 -0.146 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.709 HG23 HG12 ' A' ' 34' ' ' ILE . 6.2 m -98.64 112.08 24.24 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.505 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 64.0 m -137.17 123.29 20.39 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.223 0.535 . . . . 0.0 110.472 -173.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 m -103.14 153.53 38.29 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.39 -175.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.55 -73.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.465 2.777 . . . . 0.0 113.696 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -125.58 -176.91 3.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.74 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.691 ' H ' HD11 ' A' ' 7' ' ' ILE . 4.7 mp -57.32 -40.62 75.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.075 0.464 . . . . 0.0 110.834 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.17 -42.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.248 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.94 84.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.079 0.466 . . . . 0.0 110.503 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.4 -41.97 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.135 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.5 t -62.18 -43.66 98.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.375 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -57.95 -47.36 83.14 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.987 0.422 . . . . 0.0 110.665 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.94 -42.28 89.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.637 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -68.48 -47.73 66.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.664 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 11' ' ' SER . 91.3 t -65.85 -43.14 93.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.687 0.279 . . . . 0.0 111.173 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.91 -43.8 94.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.744 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 65.3 ttp85 -90.07 1.58 56.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.749 0.309 . . . . 0.0 111.342 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.435 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 23.8 tp -56.22 -50.88 84.96 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.872 -176.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 32.5 Cg_endo -66.3 -46.81 3.8 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.66 1.573 . . . . 0.0 112.266 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.1 65.02 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.654 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.658 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 5.3 m -112.8 139.56 22.98 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.29 127.68 9.28 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.221 2.614 . . . . 0.0 112.234 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.744 ' HG2' ' HD3' ' A' ' 17' ' ' ARG . 38.2 mt-10 -60.9 -41.4 96.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.955 -172.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -34.64 73.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.928 0.394 . . . . 0.0 111.198 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.34 -51.26 46.4 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.787 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.6 m -65.19 -36.69 84.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.35 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -56.94 12.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.518 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.1 m -57.44 -35.43 70.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -58.08 -38.49 76.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.144 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.6 t -104.66 0.59 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.895 0.379 . . . . 0.0 111.652 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.8 19.35 58.1 Favored Glycine 0 C--O 1.234 0.127 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.148 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.9 t -90.21 147.43 23.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 pt -117.16 137.38 51.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.347 0.594 . . . . 0.0 111.983 -174.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.709 HG12 HG23 ' A' ' 2' ' ' THR . 65.5 mt -109.27 100.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.048 172.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.5 pt -90.72 151.55 43.89 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.337 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -72.38 1.29 6.3 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.894 2.396 . . . . 0.0 112.402 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -106.22 174.65 20.69 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.79 -48.5 6.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.763 0.316 . . . . 0.0 111.347 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.1 m -90.91 125.89 35.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.871 -174.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.4 m -105.27 160.39 26.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.546 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.57 126.59 20.27 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.215 1.943 . . . . 0.0 111.067 172.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.35 -31.42 59.62 Favored Glycine 0 C--N 1.33 0.203 0 O-C-N 123.215 0.322 . . . . 0.0 113.425 -175.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.68 -25.97 66.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 0.0 111.46 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -118.23 20.34 13.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.408 0.623 . . . . 0.0 109.723 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -117.23 87.28 2.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.884 -176.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 . . . . . 0 C--N 1.316 -0.851 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.012 170.465 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -100.04 139.07 36.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.269 0.557 . . . . 0.0 110.369 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -127.24 105.32 8.47 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.735 -175.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.6 m -97.55 148.57 34.62 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -172.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.719 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 42.7 Cg_exo -43.18 -67.08 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 124.518 3.478 . . . . 0.0 114.612 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 t -120.64 165.83 14.51 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.259 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.729 HD12 ' HB3' ' A' ' 46' ' ' ASN . 26.4 mm -54.05 -42.27 54.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.979 0.419 . . . . 0.0 110.112 175.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.15 -38.05 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.774 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.13 82.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.609 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -74.61 -35.07 62.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 m -62.28 -45.86 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.606 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.02 -32.71 74.14 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.991 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -58.77 -31.79 68.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.173 0.511 . . . . 0.0 110.263 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -83.52 -44.73 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.779 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.41 -34.84 66.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.292 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.75 -31.29 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 0.0 111.083 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -90.41 2.88 55.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.824 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.522 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 34.5 tp -69.17 -49.18 25.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.371 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.522 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 92.7 Cg_endo -81.43 -163.29 0.22 Allowed 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.879 1.719 . . . . 0.0 111.33 169.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.88 73.25 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.916 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -132.5 130.47 21.81 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.93 149.58 89.64 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 123.257 2.638 . . . . 0.0 113.534 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.74 -53.59 56.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.459 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -36.19 75.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.199 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.44 -52.54 61.04 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.831 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.9 m -58.74 -42.33 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.746 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -54.32 47.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.113 0.482 . . . . 0.0 110.8 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -62.76 -37.28 85.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.113 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -68.13 -35.87 78.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.605 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p -84.52 -13.0 53.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.96 0.409 . . . . 0.0 111.465 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.75 18.04 52.57 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.4 t -92.71 141.02 28.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.41 137.08 43.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.002 0.43 . . . . 0.0 111.209 -175.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.8 mt -105.87 117.45 51.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.554 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 pt -119.14 134.51 23.67 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.037 0.446 . . . . 0.0 111.143 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -75.31 68.26 6.03 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.815 2.344 . . . . 0.0 110.91 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.92 -173.13 19.37 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.231 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.13 0.97 10.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.201 0.5 . . . . 0.0 111.196 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.4 m -141.28 125.0 16.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.415 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.4 m -81.91 159.1 66.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.075 -178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.9 147.04 92.17 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.475 2.117 . . . . 0.0 111.194 172.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -21.83 62.7 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.547 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.09 -39.73 75.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.963 0.411 . . . . 0.0 110.755 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.719 ' CD1' ' HA ' ' A' ' 5' ' ' PRO . 26.0 m-85 -126.51 84.8 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.49 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.36 87.42 2.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.034 0.445 . . . . 0.0 111.004 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.729 ' HB3' HD12 ' A' ' 7' ' ' ILE . 48.1 m-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.139 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 120.846 0.355 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.416 HG22 HG12 ' A' ' 34' ' ' ILE . 4.7 m -88.43 120.17 29.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.851 178.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -117.65 95.7 5.06 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.243 0.544 . . . . 0.0 110.496 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.4 m -97.64 156.04 36.53 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.886 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.547 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 31.5 Cg_exo -62.65 -134.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.199 2.599 . . . . 0.0 112.476 175.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -68.72 179.55 1.72 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.348 0.594 . . . . 0.0 111.552 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.48 -45.81 85.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.194 -173.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.76 -41.32 79.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.727 0.298 . . . . 0.0 110.947 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.08 94.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.857 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -59.94 -42.33 93.79 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.044 0.449 . . . . 0.0 110.467 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 15' ' ' VAL . 45.2 t -61.46 -53.15 60.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.428 178.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -59.88 -36.25 76.53 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.09 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.87 -47.37 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -68.82 -41.29 78.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.547 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 11' ' ' SER . 92.4 t -63.06 -38.3 81.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.993 0.425 . . . . 0.0 110.459 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.524 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.2 t -73.04 -29.36 62.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.52 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -80.39 -8.01 59.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.343 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.8 tt -75.98 -51.65 2.8 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.061 -178.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 16.8 Cg_exo -69.1 179.46 3.32 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.446 2.097 . . . . 0.0 112.495 177.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.57 73.54 2.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.61 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 t -136.1 146.25 55.7 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.78 135.39 69.29 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.037 2.491 . . . . 0.0 113.009 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -34.87 77.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.56 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.11 -37.23 74.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.105 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.8 tp -69.05 -47.81 64.43 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.38 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.3 m -64.31 -35.84 82.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.977 0.418 . . . . 0.0 110.775 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.27 69.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.355 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.3 m -60.6 -43.31 97.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -62.58 -36.6 83.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.668 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.1 p -89.19 -24.11 22.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.907 0.384 . . . . 0.0 111.826 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.78 18.81 39.33 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.9 t -92.84 143.02 26.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.399 . . . . 0.0 110.062 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.0 pt -123.38 148.09 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.465 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.416 HG12 HG22 ' A' ' 2' ' ' THR . 77.6 mt -116.67 105.79 18.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.038 0.447 . . . . 0.0 110.379 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 26.7 pt -92.95 141.51 24.25 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.626 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 13.2 Cg_exo -70.7 -29.84 18.82 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.838 2.359 . . . . 0.0 112.877 -177.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.01 158.75 26.86 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.811 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 78.84 153.49 0.13 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.915 0.886 . . . . 0.0 110.833 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -83.72 172.93 11.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.831 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 61.4 m -83.86 153.12 63.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.456 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.67 149.16 92.08 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.546 2.164 . . . . 0.0 111.433 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.42 -31.81 75.42 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.981 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -94.84 9.37 39.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.833 0.349 . . . . 0.0 110.623 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -140.95 29.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.262 0.553 . . . . 0.0 109.725 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.465 ' C ' HD21 ' A' ' 46' ' ' ASN . . . -132.3 87.26 2.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.926 178.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.547 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.97 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' THR . . . . . 0.551 ' O ' HG12 ' A' ' 35' ' ' ILE . 13.2 m . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.047 0.451 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 m -93.33 136.04 33.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.6 m -139.58 122.93 17.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.849 0.357 . . . . 0.0 110.694 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.584 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 72.4 m -111.1 147.24 36.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -173.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.79 -74.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.305 2.67 . . . . 0.0 113.372 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -77.26 147.16 36.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.049 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.657 HD12 ' H ' ' A' ' 7' ' ' ILE . 4.5 mp -61.36 -37.01 76.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.67 -35.4 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.707 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.68 77.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.528 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 7' ' ' ILE . 17.8 tpp180 -58.64 -42.47 88.4 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.268 175.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.448 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.9 t -69.08 -48.13 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.47 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.08 -36.61 75.41 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.556 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.87 -45.28 92.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.978 0.418 . . . . 0.0 110.933 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -74.8 -18.48 60.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.297 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 11' ' ' SER . 92.7 t -79.18 -38.49 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.96 0.409 . . . . 0.0 110.093 174.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.1 t -69.99 -41.39 74.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.117 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -84.03 0.23 49.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.16 0.505 . . . . 0.0 110.777 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 40.3 tp -70.27 -50.17 16.0 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 -175.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 13.9 Cg_exo -71.61 0.26 7.23 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.342 2.028 . . . . 0.0 112.855 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.32 9.33 31.75 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -73.38 129.25 86.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -49.34 136.09 31.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.34 2.693 . . . . 0.0 113.462 -176.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -40.03 90.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.674 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.92 78.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.091 0.472 . . . . 0.0 110.906 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.27 -45.8 62.33 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.21 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.5 m -64.55 -37.34 87.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.248 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.63 89.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.065 0.459 . . . . 0.0 110.334 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.1 m -69.69 -33.21 72.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.78 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -74.84 -43.33 55.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.042 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -98.0 -1.31 42.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.918 0.389 . . . . 0.0 111.61 -169.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.12 68.17 1.52 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.256 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.1 t -148.47 158.62 44.23 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.6 pt -120.84 143.16 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.08 0.466 . . . . 0.0 111.79 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.8 mt -117.12 121.49 67.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.376 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 1' ' ' THR . 30.4 pt -74.14 150.96 88.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.949 0.404 . . . . 0.0 111.83 -175.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 2.2 Cg_endo -81.87 -3.28 11.7 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 123.18 2.587 . . . . 0.0 112.295 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.2 173.88 32.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.269 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 68.42 -101.52 0.05 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 124.426 1.09 . . . . 0.0 111.411 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -173.35 163.53 4.53 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.603 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 79.0 m -81.35 145.34 55.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.645 0.26 . . . . 0.0 110.437 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.75 157.31 58.82 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.734 2.29 . . . . 0.0 111.462 174.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.16 -20.94 63.42 Favored Glycine 0 C--O 1.235 0.187 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.338 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.37 -30.88 70.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 110.914 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.65 78.78 1.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.094 0.474 . . . . 0.0 110.543 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.27 105.19 7.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.103 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.584 ' HB3' ' O ' ' A' ' 4' ' ' CYS . 58.9 t30 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.118 -175.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 13.8 t -120.87 137.41 54.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.526 0.679 . . . . 0.0 111.599 -178.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.8 m -130.03 139.84 50.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.468 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.0 m -116.51 173.31 3.14 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.577 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.05 -152.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.489 2.126 . . . . 0.0 110.54 165.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -45.36 149.71 0.51 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 122.668 0.387 . . . . 0.0 111.71 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm -49.51 -33.66 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.104 0.562 . . . . 0.0 112.502 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -55.14 -30.54 24.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 121.212 0.529 . . . . 0.0 111.464 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.71 70.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.029 -0.419 . . . . 0.0 110.909 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -70.21 -38.66 75.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.726 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.6 p -63.25 -41.26 99.05 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.495 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -62.14 -40.37 95.73 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.291 174.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.714 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 82.1 t80 -60.41 -39.08 86.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.311 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -41.5 78.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.533 177.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 11' ' ' SER . 88.2 t -61.64 -39.39 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.348 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.803 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -52.38 -47.8 65.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.006 0.431 . . . . 0.0 111.545 175.107 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -88.55 5.04 44.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.794 -172.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.641 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 9.3 tt -72.39 -51.98 7.17 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.74 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.641 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.2 Cg_exo -76.16 -36.08 2.06 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.83 1.687 . . . . 0.0 111.617 176.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.62 81.57 0.22 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.189 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.803 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 2.2 m -135.09 138.51 29.46 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.599 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 88.7 Cg_exo -49.04 131.02 25.07 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 123.328 2.685 . . . . 0.0 113.977 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.714 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 34.6 tt0 -55.19 -55.4 31.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.086 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.09 79.24 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.577 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.599 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.5 tt -56.93 -59.32 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.177 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.7 m -69.15 -36.61 77.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.974 -175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.93 67.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.287 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.7 m -65.96 -32.55 74.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.139 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -72.68 -39.36 67.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.449 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -90.83 -22.08 21.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 -171.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.05 22.84 6.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.705 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 69.2 m -96.11 137.97 34.41 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 2' ' ' THR . 34.1 pt -99.19 138.85 22.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.509 -178.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -112.72 104.4 16.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.224 0.535 . . . . 0.0 110.169 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.1 pt -107.06 149.03 38.11 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.464 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -52.03 -35.67 62.28 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.368 2.712 . . . . 0.0 113.317 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.92 125.85 0.86 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.89 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 170.54 150.89 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 t -78.0 133.54 37.97 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.4 m -82.09 143.06 48.59 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.312 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.69 147.42 95.38 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.59 2.194 . . . . 0.0 110.978 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.58 -28.01 43.91 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.572 -0.347 . . . . 0.0 112.924 -176.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -55.3 -39.25 69.68 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.887 0.475 . . . . 0.0 111.718 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -127.94 15.5 6.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.027 0.442 . . . . 0.0 110.871 -175.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.91 85.87 7.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.174 0.511 . . . . 0.0 109.99 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.967 179.816 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.0 0.429 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 m -114.07 113.34 24.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 57.0 m -120.2 130.71 54.67 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.644 -172.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.0 m -101.91 172.45 4.38 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.981 -174.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.63 -165.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.662 2.241 . . . . 0.0 111.438 169.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -56.01 164.56 1.18 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.156 0.503 . . . . 0.0 111.532 -175.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.4 mt -44.07 -45.38 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 114.855 -1.066 . . . . 0.0 113.253 -169.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -51.49 -52.71 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.45 71.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.257 0.551 . . . . 0.0 110.54 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 3.4 tmt_? -66.22 -35.26 79.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.951 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 15' ' ' VAL . 36.7 m -65.91 -44.98 83.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.448 175.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -62.86 -31.66 72.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.9 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -58.16 -49.98 75.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.497 173.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -64.52 -38.48 91.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.066 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 11' ' ' SER . 73.6 t -66.23 -32.33 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.732 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.518 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.5 t -64.82 -38.99 92.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.362 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 21' ' ' THR . 74.4 ttt180 -86.16 -3.17 58.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.088 0.47 . . . . 0.0 110.912 -177.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.543 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 5.7 tt -63.34 -50.05 76.15 Favored Pre-proline 0 CA--C 1.541 0.604 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.79 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 7.3 Cg_exo -74.85 15.31 0.72 Allowed 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.294 1.996 . . . . 0.0 112.796 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.32 39.98 11.88 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.882 176.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 58.5 m -99.27 132.98 22.42 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.547 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 81.7 Cg_exo -45.38 140.39 8.4 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.723 2.948 . . . . 0.0 114.038 -176.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -47.47 85.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.909 -176.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.36 94.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.073 0.463 . . . . 0.0 110.925 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.5 tt -58.11 -55.19 38.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.896 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.8 m -62.99 -38.28 90.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.352 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.87 80.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 110.822 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.0 m -68.94 -31.32 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -72.3 -34.99 68.55 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.226 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 p -88.3 -36.37 16.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.879 0.371 . . . . 0.0 111.397 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.64 30.77 2.3 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.395 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.6 m -85.9 147.2 26.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.0 pt -107.99 138.35 34.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.098 0.475 . . . . 0.0 111.205 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 34' ' ' ILE . 4.2 mp -97.25 137.25 25.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.701 176.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.9 pt -122.81 133.44 24.46 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-O 120.771 0.32 . . . . 0.0 110.941 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -75.55 -13.05 20.43 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.824 2.349 . . . . 0.0 111.746 174.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.56 -159.42 31.01 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.44 ' O ' ' HB ' ' A' ' 39' ' ' THR . . . 73.44 -16.01 0.52 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.748 0.819 . . . . 0.0 112.735 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 55.2 m 67.94 145.68 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.454 0.645 . . . . 0.0 112.358 177.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 65.7 m -81.57 140.27 47.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.446 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 21.3 Cg_exo -66.42 164.86 26.87 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.79 2.327 . . . . 0.0 111.524 175.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.04 -33.1 82.76 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.716 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.3 -46.52 83.1 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.284 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.425 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 51.5 m-85 -105.1 22.01 16.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.356 -177.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.8 85.44 6.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.315 0.579 . . . . 0.0 109.47 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.458 ' HB3' ' HG3' ' A' ' 10' ' ' ARG . 33.9 m-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.671 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.612 HG22 ' HA ' ' A' ' 38' ' ' ALA . 9.7 p . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 t -94.72 107.68 19.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.714 0.768 . . . . 0.0 109.031 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.4 m -131.2 129.3 41.49 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.437 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.5 m -108.8 160.0 28.92 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.431 -173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -53.41 -64.87 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.022 2.481 . . . . 0.0 112.268 173.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -121.15 159.85 24.97 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.168 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.5 mm -57.92 -31.74 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.772 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.0 t -53.51 -42.65 50.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.743 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.26 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.804 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 10' ' ' ARG . 38.4 ttm-85 -66.47 -45.31 80.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.616 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 15' ' ' VAL . 48.0 m -64.99 -36.62 84.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.772 0.32 . . . . 0.0 110.25 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -60.37 -44.73 95.32 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -58.11 -43.21 87.05 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.822 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -62.62 -49.08 76.63 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.102 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 11' ' ' SER . 74.9 t -64.17 -37.42 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.079 0.466 . . . . 0.0 110.582 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.2 t -61.86 -45.27 94.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 23' ' ' GLU . 69.5 mtp180 -87.32 8.6 23.63 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.426 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.1 tp -58.88 -47.84 97.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.55 -178.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 83.5 Cg_endo -82.54 11.42 3.21 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.15 1.9 . . . . 0.0 113.001 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.97 7.74 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.962 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -76.61 137.41 67.08 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -45.44 136.44 11.74 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.274 2.649 . . . . 0.0 112.984 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 17' ' ' ARG . 1.5 pm0 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.461 -177.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.62 94.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.431 . . . . 0.0 110.591 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.64 -57.43 12.73 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.275 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.2 m -67.24 -35.49 79.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.679 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.42 99.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.557 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -71.2 -39.74 71.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.617 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.82 -35.35 80.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.5 p -87.67 -51.6 5.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.972 0.415 . . . . 0.0 111.71 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.02 21.84 3.38 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -173.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.98 138.9 32.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.1 pt -101.47 140.48 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.624 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.5 mt -111.34 100.67 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.134 0.492 . . . . 0.0 109.787 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 1' ' ' THR . 25.5 pt -109.6 151.94 42.52 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.935 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.99 -29.26 66.48 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.953 2.436 . . . . 0.0 112.661 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.26 142.88 23.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.11 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.612 ' HA ' HG22 ' A' ' 1' ' ' THR . . . -87.24 -15.72 37.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.024 0.44 . . . . 0.0 110.386 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 t -78.66 110.2 13.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.693 0.759 . . . . 0.0 111.587 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.6 m -122.14 122.8 27.45 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 171.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.28 152.21 77.82 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.481 2.121 . . . . 0.0 111.002 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.8 -22.46 33.75 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.257 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.9 -35.74 69.34 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 123.219 0.608 . . . . 0.0 111.714 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -135.13 17.47 3.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.208 0.528 . . . . 0.0 110.813 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.93 85.82 5.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.042 0.448 . . . . 0.0 110.402 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 . . . . . 0 C--N 1.316 -0.887 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.158 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.3 m -115.37 126.15 54.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.758 0.313 . . . . 0.0 110.872 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.0 m -143.01 144.63 32.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.843 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 m -128.29 146.41 59.52 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.66 -171.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 7.9 Cg_exo -72.17 162.59 41.24 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.519 2.146 . . . . 0.0 110.73 172.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t 57.16 121.27 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.723 0.773 . . . . 0.0 112.787 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -58.62 -33.55 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.865 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.48 -43.73 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.447 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.548 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . . . -68.05 -44.77 75.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -64.29 -29.32 70.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 110.293 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 t -68.42 -55.6 11.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.474 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.548 ' ND2' ' HA ' ' A' ' 9' ' ' ALA . 9.4 p30 -70.03 -23.42 63.11 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.903 -177.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -55.1 -44.37 74.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.067 0.46 . . . . 0.0 110.232 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -72.44 -33.38 67.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.0 t -68.87 -28.01 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.205 0.526 . . . . 0.0 110.31 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.6 t -64.28 -35.23 80.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.554 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -87.2 -1.96 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.436 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -67.33 -52.12 30.51 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.743 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 22.9 Cg_exo -66.18 -24.4 51.55 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.047 1.832 . . . . 0.0 111.631 175.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.11 28.71 1.78 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.067 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -86.09 128.25 58.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.48 143.24 36.26 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.344 2.696 . . . . 0.0 113.242 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -37.47 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.452 -176.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.59 -53.66 53.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.791 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.24 -43.68 90.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.226 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -61.49 -37.02 82.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.687 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . . . -64.43 -48.98 73.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.988 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m -61.77 -33.26 73.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.031 0.443 . . . . 0.0 111.333 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -77.89 -27.8 49.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.383 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.8 p -99.35 -24.84 14.68 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.77 14.59 36.71 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.552 ' HB3' ' HA ' ' A' ' 27' ' ' ALA . 49.7 t -76.44 152.26 36.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.182 -0.509 . . . . 0.0 110.259 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.9 pt -116.77 138.92 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.388 0.613 . . . . 0.0 111.677 -176.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.8 mt -109.5 104.87 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.467 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 pt -109.56 142.37 25.57 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.3 -175.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.7 -11.83 22.1 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.696 2.264 . . . . 0.0 112.079 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.77 149.17 49.37 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.06 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.24 66.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.724 0.297 . . . . 0.0 111.358 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 m -119.05 140.28 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.415 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.8 m -82.05 144.63 51.42 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.446 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -58.86 142.05 98.65 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.492 2.128 . . . . 0.0 111.944 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.4 -25.29 40.85 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.963 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.18 -34.91 64.25 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.746 0.308 . . . . 0.0 111.409 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -116.01 26.04 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.142 0.496 . . . . 0.0 110.892 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.8 86.82 6.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.039 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.676 0.274 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.408 ' HA ' HD11 ' A' ' 34' ' ' ILE . 7.3 m -86.79 127.62 35.01 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.212 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -126.45 108.84 11.56 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.5 m -110.24 145.21 31.68 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.746 -0.207 . . . . 0.0 110.914 -174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.668 ' HA ' ' HD1' ' A' ' 44' ' ' TYR . 82.5 Cg_exo -50.98 -69.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.502 2.801 . . . . 0.0 113.33 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -118.48 170.96 8.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.561 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.39 -33.11 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.66 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.0 -39.37 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.51 90.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.771 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -66.24 -35.98 81.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.766 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.506 ' O ' HG21 ' A' ' 15' ' ' VAL . 24.1 t -59.82 -49.89 75.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.138 178.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -70.0 -31.22 68.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -55.18 -46.45 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.233 173.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -67.54 -35.52 79.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.076 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.506 HG21 ' O ' ' A' ' 11' ' ' SER . 83.9 t -62.42 -43.88 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.481 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.565 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 33.8 t -67.63 -37.8 82.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.883 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.772 ' HE ' ' HG2' ' A' ' 23' ' ' GLU . 43.0 ttt-85 -83.54 2.17 38.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.866 -175.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 49.0 tp -77.28 -51.05 2.06 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.027 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.581 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 16.5 Cg_exo -69.37 -10.97 30.27 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.03 1.82 . . . . 0.0 112.756 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.84 35.73 2.33 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.783 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.673 ' HB ' ' SG ' ' A' ' 26' ' ' CYS . 1.9 m -90.94 134.79 29.6 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.713 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 76.3 Cg_exo -42.14 136.29 3.77 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.546 2.831 . . . . 0.0 113.697 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.772 ' HG2' ' HE ' ' A' ' 17' ' ' ARG . 29.6 mt-10 -56.77 -54.07 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.04 -175.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -32.71 74.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.275 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.713 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -63.18 -54.89 30.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.298 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.673 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 87.6 m -58.58 -32.44 68.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.16 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.03 -60.58 3.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.385 . . . . 0.0 110.585 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -65.75 -33.66 76.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.194 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.53 -36.6 81.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.232 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 m -100.69 -38.52 8.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.601 -172.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.51 63.09 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.782 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.9 t -152.66 149.59 28.58 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.1 pt -110.93 138.41 39.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.313 0.577 . . . . 0.0 111.884 -174.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 HD11 ' HA ' ' A' ' 2' ' ' THR . 46.0 mm -102.19 139.45 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.097 175.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 46.7 pt -135.0 148.0 65.07 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.378 177.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 4.6 Cg_exo -78.23 10.96 2.51 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.009 2.472 . . . . 0.0 112.107 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.29 158.83 17.32 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.24 -45.18 23.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.741 0.305 . . . . 0.0 111.427 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.4 m -92.07 126.15 37.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.644 -174.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.7 m -87.84 142.21 32.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.276 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.69 141.8 98.0 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.302 2.001 . . . . 0.0 111.134 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.51 -23.08 60.02 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.963 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.4 -33.43 75.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.945 0.402 . . . . 0.0 110.481 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.668 ' HD1' ' HA ' ' A' ' 5' ' ' PRO . 53.2 m-85 -131.02 42.78 3.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.328 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.48 85.48 2.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.198 0.523 . . . . 0.0 110.458 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.244 0.785 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.075 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.499 ' HG1' ' HA ' ' A' ' 39' ' ' THR . 2.8 m . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.606 HG23 HG12 ' A' ' 34' ' ' ILE . 2.5 m -113.69 115.91 28.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.932 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.784 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 24.7 m -133.84 128.59 35.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.363 -171.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.0 m -107.66 154.68 40.72 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.432 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.05 -68.99 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.246 2.63 . . . . 0.0 112.48 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -118.8 168.42 10.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.385 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.89 -27.71 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.962 0.411 . . . . 0.0 110.29 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.48 -35.91 66.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.227 0.537 . . . . 0.0 109.783 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -36.64 76.4 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.409 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttm-85 -63.59 -41.03 98.37 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.5 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.585 ' HA ' HD22 ' A' ' 14' ' ' ASN . 49.4 m -61.04 -50.71 72.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.047 0.451 . . . . 0.0 110.233 175.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -58.08 -36.16 72.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.648 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.545 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 85.1 t80 -59.33 -54.32 48.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.766 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.585 HD22 ' HA ' ' A' ' 11' ' ' SER . 10.3 p30 -73.09 -27.41 61.7 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.091 -175.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 11' ' ' SER . 73.2 t -66.6 -37.13 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.539 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 37.9 t -67.38 -36.94 82.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -80.75 -13.54 58.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.937 -176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 55.1 tp -61.02 -49.71 87.78 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 24.0 Cg_exo -66.52 -0.42 4.37 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.402 2.068 . . . . 0.0 113.555 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.33 19.05 17.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.348 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -80.6 138.05 51.15 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.555 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 53.8 Cg_exo -52.02 146.7 28.82 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.172 2.581 . . . . 0.0 113.568 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 38.8 tt0 -63.84 -49.67 71.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.03 -178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -34.85 78.34 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.099 0.476 . . . . 0.0 110.843 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.555 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.8 tt -62.51 -54.83 34.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.881 177.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -66.34 -29.69 69.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.571 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.2 -51.18 71.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 0.0 110.013 175.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -70.29 -32.8 70.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.614 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.17 -32.64 74.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.976 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 m -102.26 -39.59 7.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.512 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.49 12.6 6.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.122 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.7 m -85.4 143.0 28.87 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 pt -105.71 137.43 35.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.057 0.456 . . . . 0.0 110.844 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.606 HG12 HG23 ' A' ' 2' ' ' THR . 71.0 mt -118.88 98.03 5.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.46 176.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.5 pt -111.65 137.03 21.09 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.929 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -88.96 1.05 6.17 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.699 2.266 . . . . 0.0 112.462 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.67 117.43 5.71 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.986 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 49.56 -94.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 124.409 1.083 . . . . 0.0 112.977 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.499 ' HA ' ' HG1' ' A' ' 1' ' ' THR . 5.1 t -163.94 175.96 9.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.784 -172.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.574 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 18.6 m -97.75 158.15 33.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.47 140.12 82.59 Favored 'Trans proline' 0 C--O 1.239 0.544 0 C-N-CA 122.383 2.055 . . . . 0.0 111.363 173.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.76 62.45 2.81 Favored Glycine 0 N--CA 1.454 -0.146 0 CA-C-N 116.325 -0.398 . . . . 0.0 113.117 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -171.03 -33.11 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -99.41 6.24 46.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.558 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.784 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -102.7 86.44 2.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.091 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 . . . . . 0 C--O 1.243 0.74 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.612 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.857 0.36 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.2 m -91.78 130.39 37.57 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.24 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.3 m -134.25 148.13 50.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.173 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.8 t -155.32 143.46 14.38 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -172.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 2.7 Cg_exo -77.65 160.0 31.59 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.498 2.132 . . . . 0.0 111.094 170.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t 59.5 124.72 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.846 0.831 . . . . 0.0 112.641 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.531 HD13 ' HB3' ' A' ' 46' ' ' ASN . 45.5 mm -60.52 -33.75 55.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.205 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.14 -35.75 75.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.986 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.98 90.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.881 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttm-85 -66.82 -33.53 75.82 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 110.101 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.438 ' O ' HG22 ' A' ' 15' ' ' VAL . 45.8 m -65.07 -45.85 83.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.101 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.49 -38.54 81.14 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' HZ ' ' HB2' ' A' ' 23' ' ' GLU . 51.3 t80 -56.54 -47.36 79.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.983 175.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -66.58 -40.69 89.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.372 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 11' ' ' SER . 99.7 t -62.66 -37.87 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.893 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.6 t -66.54 -38.88 88.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.213 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 21' ' ' THR . 75.1 ttt180 -80.24 -22.63 41.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.754 -175.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.535 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.8 tp -51.45 -51.29 70.55 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.7 Cg_exo -74.41 12.21 1.12 Allowed 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.531 2.154 . . . . 0.0 113.707 -175.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.02 57.03 1.17 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.204 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.561 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 3.2 m -128.5 131.88 24.03 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.77 136.92 73.48 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.971 2.448 . . . . 0.0 112.272 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' HB2' ' HZ ' ' A' ' 13' ' ' PHE . 12.9 pt-20 -61.72 -38.01 86.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.927 -174.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.21 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.72 -50.81 69.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.2 m -66.47 -37.45 85.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.792 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.57 89.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.989 0.423 . . . . 0.0 110.523 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -68.1 -25.7 65.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.188 0.518 . . . . 0.0 110.523 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -78.13 -35.34 49.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.971 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.2 p -87.46 -16.05 35.9 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.21 22.06 16.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.081 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.9 m -94.34 162.74 13.71 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 pt -117.54 143.63 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.979 0.419 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 82.6 mt -118.37 118.4 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 pt -113.4 145.5 33.41 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -64.5 -19.55 65.21 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.912 2.408 . . . . 0.0 111.598 175.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.8 154.96 45.64 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.959 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.58 -29.32 41.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.9 m -139.47 135.53 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.879 0.371 . . . . 0.0 111.215 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.1 m -94.72 164.96 18.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.818 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.47 125.79 19.44 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 121.83 1.686 . . . . 0.0 110.361 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.73 -18.68 62.02 Favored Glycine 0 N--CA 1.455 -0.06 0 C-N-CA 121.363 -0.446 . . . . 0.0 113.061 -173.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.94 -32.15 71.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 110.178 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -102.83 -4.56 24.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.006 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.23 101.64 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.053 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.531 ' HB3' HD13 ' A' ' 7' ' ' ILE . 13.3 m120 . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.438 -0.792 . . . . 0.0 109.722 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.609 0.242 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 m -103.44 131.94 50.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.694 0.283 . . . . 0.0 110.547 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.5 m -124.79 105.78 9.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.027 0.441 . . . . 0.0 110.233 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.516 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 78.3 m -106.48 142.05 24.09 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 -177.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -43.73 -66.15 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.378 2.719 . . . . 0.0 112.795 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -120.18 160.62 22.55 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.762 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.03 -31.2 36.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.972 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.9 t -53.36 -37.07 28.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.405 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -67.75 -40.12 84.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.849 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -68.99 -40.69 78.62 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 110.444 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -58.85 -43.31 90.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.412 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -73.93 -31.49 63.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -57.03 -49.76 74.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.746 0.308 . . . . 0.0 110.973 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -63.9 -40.98 97.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.8 t -62.65 -42.33 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.956 0.408 . . . . 0.0 110.583 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.532 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 41.6 t -64.05 -32.68 74.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.366 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' HD2' ' HG3' ' A' ' 23' ' ' GLU . 18.4 ttp180 -87.61 3.62 46.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 111.119 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.587 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 5.4 tt -74.87 -49.48 4.42 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.4 Cg_exo -75.46 -169.52 0.67 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.028 1.818 . . . . 0.0 111.303 171.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.36 71.21 2.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.696 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.72 127.45 22.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.7 152.65 77.03 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.962 2.442 . . . . 0.0 113.028 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.57 ' HG3' ' HD2' ' A' ' 17' ' ' ARG . 7.0 mp0 -62.44 -49.53 75.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.636 -177.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.22 -32.52 70.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.109 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.41 -54.47 16.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.2 m -60.92 -36.87 80.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.728 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -57.49 12.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.6 m -65.43 -32.71 74.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.855 0.359 . . . . 0.0 111.0 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -64.07 -34.53 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p -92.26 -12.23 33.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.119 0.485 . . . . 0.0 111.006 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.98 14.11 65.27 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.737 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.0 t -92.5 157.63 16.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 pt -125.9 137.74 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.233 0.539 . . . . 0.0 111.273 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.3 mt -104.79 112.74 39.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.854 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 41.8 pt -97.1 143.27 25.83 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.833 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 14.5 Cg_exo -69.56 -16.05 38.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 123.101 2.534 . . . . 0.0 111.921 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.65 140.8 26.6 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.035 -0.603 . . . . 0.0 111.851 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.39 -7.93 58.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.657 0.265 . . . . 0.0 111.553 -176.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -114.03 106.21 14.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.843 0.354 . . . . 0.0 111.106 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 46.5 t -93.41 131.09 33.43 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 37.5 Cg_exo -57.78 128.23 28.29 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.62 2.213 . . . . 0.0 111.639 178.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.47 52.42 Favored Glycine 0 C--N 1.329 0.16 0 O-C-N 123.365 0.416 . . . . 0.0 113.195 -175.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.07 -42.97 96.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.987 0.423 . . . . 0.0 111.469 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -97.45 -5.2 36.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.144 -175.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.36 87.0 5.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.241 0.543 . . . . 0.0 110.498 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 36.8 m-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.396 -0.812 . . . . 0.0 109.545 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.425 ' HA ' ' OE1' ' A' ' 23' ' ' GLU . 26.6 m . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -81.41 140.96 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.311 0.577 . . . . 0.0 111.571 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.3 m -116.27 134.32 55.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.468 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.477 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . 71.8 m -109.77 147.02 35.29 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.054 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -48.03 -72.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.653 2.902 . . . . 0.0 113.065 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -118.82 169.29 9.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.218 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -57.54 -29.86 35.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.015 0.436 . . . . 0.0 110.643 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -52.47 -48.35 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.654 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HB1' ' HB3' ' A' ' 4' ' ' CYS . . . -64.03 -40.69 96.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.948 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -63.93 -41.0 97.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.023 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.8 p -62.91 -32.62 73.94 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.769 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.51 -39.95 67.22 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -60.33 -41.11 92.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.788 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -56.09 -43.58 78.19 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.395 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.44 -41.13 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.745 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.1 t -61.03 -37.43 82.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.508 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 21' ' ' THR . 10.2 ttp180 -88.98 8.88 27.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.046 0.45 . . . . 0.0 111.436 -175.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.546 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.4 tm? -58.68 -49.96 90.63 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.202 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 13.5 Cg_exo -71.42 -2.58 11.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 122.311 2.008 . . . . 0.0 113.291 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.67 26.65 12.76 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.257 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 5.4 m -72.1 129.93 87.15 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -51.01 144.06 29.16 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.838 2.359 . . . . 0.0 112.17 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' OE1' ' HA ' ' A' ' 1' ' ' THR . 13.5 pt-20 -62.95 -35.21 79.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.758 -172.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.91 94.17 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.939 0.4 . . . . 0.0 110.981 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.47 -49.9 74.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.076 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.4 m -69.2 -31.7 70.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.763 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.87 -49.51 73.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.798 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.4 m -67.08 -25.26 66.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.073 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.54 -13.54 48.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.165 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m -114.42 -27.85 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.667 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.75 19.21 9.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.162 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.6 m -91.88 158.19 16.44 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.4 pt -98.23 154.87 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 110.653 -177.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -115.46 110.87 33.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.166 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 pt -114.12 147.2 37.33 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.155 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.92 25.5 0.63 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.937 2.424 . . . . 0.0 112.075 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.71 157.46 16.18 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.834 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.14 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 t -123.51 164.2 19.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.989 0.423 . . . . 0.0 111.345 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.8 m -101.07 148.66 35.41 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.322 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.45 146.26 91.07 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.267 2.645 . . . . 0.0 112.719 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.0 61.83 2.13 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.798 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -170.2 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.57 0.7 . . . . 0.0 109.116 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -116.69 14.0 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.539 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.11 87.6 6.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.257 177.4 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.456 ' H1 ' HG13 ' A' ' 35' ' ' ILE . 4.0 m . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.775 HG21 HG12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -79.31 118.53 21.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.313 0.245 . . . . 0.0 110.59 177.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.3 m -106.68 103.5 12.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.4 m -105.45 162.86 18.43 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.713 -0.222 . . . . 0.0 110.877 -175.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -70.48 -149.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.158 2.572 . . . . 0.0 111.663 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -41.7 143.35 0.52 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.752 0.421 . . . . 0.0 111.847 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.1 mm -49.22 -38.72 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.448 -172.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.1 t -61.3 -34.28 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.975 0.416 . . . . 0.0 111.175 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.03 94.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.349 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 52.1 ttm-85 -64.85 -37.1 86.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.06 0.457 . . . . 0.0 110.428 177.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 15' ' ' VAL . 17.8 m -61.3 -46.2 91.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.415 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.27 -37.6 88.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.215 0.531 . . . . 0.0 110.141 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.681 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 65.2 t80 -58.18 -43.97 87.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.95 176.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.88 -36.17 77.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.886 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 11' ' ' SER . 82.5 t -60.99 -40.51 85.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.371 . . . . 0.0 110.275 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.509 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 35.8 t -62.51 -38.75 91.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.126 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -79.82 -15.17 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.76 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.4 tm? -56.45 -52.29 74.41 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-O 119.44 -0.314 . . . . 0.0 111.605 -176.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 15.7 Cg_exo -70.23 7.63 1.08 Allowed 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.34 2.027 . . . . 0.0 113.426 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.1 36.72 6.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.233 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -94.47 133.04 27.61 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.431 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 72.5 Cg_exo -49.44 142.4 23.14 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.097 2.531 . . . . 0.0 113.11 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.681 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 48.8 tt0 -60.92 -46.47 90.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.841 -177.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -36.33 80.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.946 0.403 . . . . 0.0 111.068 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -64.19 -51.73 62.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.069 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.8 m -67.89 -29.52 68.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.522 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.64 80.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.249 0.547 . . . . 0.0 110.102 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 m -80.73 -39.67 26.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.613 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -64.98 -41.38 95.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.658 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 m -102.72 -42.85 5.75 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.266 -172.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.29 89.97 0.93 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.279 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.409 ' SG ' HG22 ' A' ' 2' ' ' THR . 43.4 t -167.5 155.71 9.31 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 pt -115.41 145.99 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.332 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.775 HG12 HG21 ' A' ' 2' ' ' THR . 50.2 mt -121.68 117.9 54.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.988 -175.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.456 HG13 ' H1 ' ' A' ' 1' ' ' THR . 19.8 pt -97.52 121.1 59.26 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 169.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.8 -11.35 28.86 Favored 'Trans proline' 0 N--CA 1.474 0.365 0 C-N-CA 123.09 2.526 . . . . 0.0 113.294 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.77 159.05 27.93 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 75.87 146.31 0.09 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.17 162.53 25.7 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.1 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 57.7 m -80.44 140.8 52.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.33 141.65 98.0 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.199 . . . . 0.0 111.426 175.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.23 -28.72 50.7 Favored Glycine 0 C--N 1.331 0.298 0 O-C-N 123.314 0.384 . . . . 0.0 113.032 -176.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.72 -44.48 90.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.0 111.532 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -116.42 21.3 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.331 0.586 . . . . 0.0 110.154 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.34 86.84 7.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.285 0.564 . . . . 0.0 110.216 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m120 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.43 178.438 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.48 0.181 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.627 HG22 HG12 ' A' ' 34' ' ' ILE . 4.7 m -79.41 111.52 15.75 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 172.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.6 m -137.04 105.47 5.77 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.36 0.6 . . . . 0.0 110.881 -172.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.439 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 20.1 m -107.04 162.53 19.4 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.615 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.87 -153.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.653 2.235 . . . . 0.0 111.909 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.471 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 13.2 t -41.94 142.71 0.65 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.325 0.25 . . . . 0.0 111.547 -178.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.7 mt -41.51 -42.45 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.009 0.924 . . . . 0.0 112.591 -171.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -53.76 -36.74 30.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.718 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.01 84.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.746 0.308 . . . . 0.0 110.92 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.439 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 13.6 ttp85 -67.35 -34.91 78.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.068 0.461 . . . . 0.0 110.251 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.482 ' O ' HG22 ' A' ' 15' ' ' VAL . 17.7 m -64.37 -44.67 90.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.322 175.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -60.27 -36.97 79.04 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -58.15 -44.69 88.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.112 0.482 . . . . 0.0 110.371 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 17' ' ' ARG . 34.6 m-80 -73.41 -18.69 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.736 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 11' ' ' SER . 96.3 t -67.43 -38.13 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.049 0.452 . . . . 0.0 109.881 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.771 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 30.7 t -78.72 -26.65 44.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.674 0.75 . . . . 0.0 110.169 176.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 22.0 tpt180 -76.98 -7.17 55.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.287 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.625 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 43.6 tp -77.47 -52.99 1.65 Allowed Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.886 -177.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 12.6 Cg_exo -70.97 -36.44 7.6 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.924 1.749 . . . . 0.0 112.053 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.58 39.43 0.62 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.735 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.771 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 26.0 m -92.16 142.52 26.32 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.562 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 78.1 Cg_exo -35.38 123.23 0.23 Allowed 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.68 2.92 . . . . 0.0 113.67 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.02 -45.34 85.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.126 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.37 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.975 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.2 tt -58.23 -59.09 5.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.212 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.4 m -75.07 -19.12 60.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.268 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.09 -45.92 75.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.218 0.532 . . . . 0.0 109.687 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -69.24 -31.07 69.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.105 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -70.89 -28.24 64.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.555 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -96.05 -3.16 45.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.752 0.31 . . . . 0.0 111.456 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.49 26.17 61.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.409 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.4 t -98.69 158.45 15.61 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.5 pt -122.93 137.18 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.235 0.54 . . . . 0.0 110.792 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.627 HG12 HG22 ' A' ' 2' ' ' THR . 73.7 mt -117.48 97.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.0 pt -107.09 154.31 40.47 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.757 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -77.1 -7.7 17.33 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.508 2.139 . . . . 0.0 112.274 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.1 -179.12 24.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.452 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.13 -7.56 19.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.684 -0.304 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 m -72.72 81.65 1.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.241 0.543 . . . . 0.0 111.025 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 77.2 m -109.01 132.12 21.38 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.065 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.95 151.11 80.28 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.719 2.279 . . . . 0.0 111.546 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.7 -26.8 63.06 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 121.308 -0.472 . . . . 0.0 112.36 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.95 -22.13 65.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.192 0.52 . . . . 0.0 110.396 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -108.14 24.43 13.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.623 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.62 100.23 7.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.741 0.305 . . . . 0.0 111.059 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.471 ' OD1' ' HA ' ' A' ' 6' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.217 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.727 ' HB ' HG23 ' A' ' 35' ' ' ILE . 7.3 m . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.3 m -129.67 136.61 49.93 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 122.326 -0.233 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m -124.53 122.69 38.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.008 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -127.79 147.7 63.95 Favored Pre-proline 0 C--N 1.317 -0.827 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.318 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -69.44 148.49 67.24 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.695 1.597 . . . . 0.0 112.895 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t 45.38 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.427 -1.261 . . . . 0.0 111.513 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.737 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 47.6 mt -91.06 -23.04 6.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 t -55.91 -45.76 80.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.484 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . . . -65.91 -40.31 91.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.375 -175.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 17.8 ttm180 -66.97 -39.86 87.33 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.41 ' O ' HG21 ' A' ' 15' ' ' VAL . 37.5 t -56.88 -50.77 71.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.978 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -67.73 -32.84 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -60.22 -51.66 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.588 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.79 -41.78 99.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.937 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.492 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 77.4 t -61.62 -42.82 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.215 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 36.9 t -63.49 -40.31 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.429 . . . . 0.0 111.25 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -75.54 -20.54 58.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 54.5 tp -58.89 -51.5 81.41 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 -175.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 23.3 Cg_exo -65.83 -12.28 34.53 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.123 1.882 . . . . 0.0 112.934 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.03 5.35 15.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.642 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -66.8 134.74 94.15 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.549 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 88.7 Cg_exo -47.85 133.08 22.39 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.167 2.578 . . . . 0.0 113.04 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -43.77 90.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.902 -177.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.45 84.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.9 tt -63.3 -50.23 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.995 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.9 m -62.84 -37.06 85.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.72 95.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.699 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.8 m -70.8 -32.13 69.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.711 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -72.25 -39.71 68.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.104 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.7 p -82.81 -37.32 24.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 0.0 111.107 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.97 36.55 2.15 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.768 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 66.3 m -92.96 147.4 22.87 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.57 138.24 30.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 110.289 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.0 mt -96.57 113.84 31.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.508 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.727 HG23 ' HB ' ' A' ' 1' ' ' THR . 4.6 tt -112.7 124.84 30.97 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.894 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 16.1 Cg_exo -70.07 -14.64 35.34 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 123.125 2.55 . . . . 0.0 112.269 177.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' H ' HG12 ' A' ' 35' ' ' ILE . . . -106.66 -168.46 22.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.131 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.08 1.71 11.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.764 0.316 . . . . 0.0 111.435 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.73 98.11 6.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.497 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -134.6 132.49 20.76 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.24 141.38 31.49 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.422 2.748 . . . . 0.0 113.028 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.47 51.47 2.58 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.718 -178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -171.08 -35.66 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -92.49 -11.5 34.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.187 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.65 87.9 3.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.677 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.737 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 2.1 t30 . . . . . 0 C--O 1.244 0.765 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 t -135.66 149.37 49.27 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.312 0.577 . . . . 0.0 111.912 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 18.9 m -132.72 114.16 13.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.64 175.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.9 m -105.3 152.15 39.78 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.299 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.59 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 51.4 Cg_exo -59.28 -131.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.481 0.739 0 C-N-CA 123.576 2.851 . . . . 0.0 113.199 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -56.36 161.63 2.48 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 121.983 -0.448 . . . . 0.0 110.729 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.668 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 63.7 mt -47.91 -38.2 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.735 -175.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.74 -44.93 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.794 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.12 85.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.978 0.418 . . . . 0.0 110.796 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -65.4 -38.18 89.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.138 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.477 ' O ' HG21 ' A' ' 15' ' ' VAL . 20.3 t -63.86 -50.42 68.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.951 177.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.03 -41.1 74.44 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.693 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -57.37 -50.25 73.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.757 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -71.57 -32.14 67.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.718 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.477 HG21 ' O ' ' A' ' 11' ' ' SER . 95.2 t -67.24 -40.54 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.098 0.475 . . . . 0.0 109.973 175.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.491 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 50.6 t -69.69 -34.31 73.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.988 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.523 ' HD3' ' HA ' ' A' ' 23' ' ' GLU . 19.0 mmm180 -81.4 2.07 30.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.446 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.548 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 2.0 tm? -77.7 -53.36 1.53 Allowed Pre-proline 0 CA--C 1.539 0.536 0 CA-C-O 119.481 -0.295 . . . . 0.0 111.025 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 14.7 Cg_exo -69.67 -23.82 30.79 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.03 1.82 . . . . 0.0 112.377 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.55 6.0 6.87 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.297 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.458 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 5.4 m -65.87 129.29 94.26 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 21' ' ' THR . 51.2 Cg_exo -54.68 145.77 58.13 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.44 2.76 . . . . 0.0 113.124 -175.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.523 ' HA ' ' HD3' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -66.28 -29.94 70.27 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.415 -175.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.49 77.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.058 0.456 . . . . 0.0 110.19 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.01 -55.12 36.62 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.273 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.1 m -55.68 -48.13 75.59 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.929 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.29 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.967 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -60.82 -31.73 71.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.077 0.465 . . . . 0.0 111.28 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -75.46 -38.51 59.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.282 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -93.21 -15.63 25.71 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.794 0.331 . . . . 0.0 111.422 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.69 32.88 5.78 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.5 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.8 t -108.24 155.47 20.44 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.6 pt -112.49 143.58 21.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.238 0.542 . . . . 0.0 112.159 -175.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.6 mt -104.87 121.98 57.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.551 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.503 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 2.6 pt -142.1 166.28 22.37 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.607 -172.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HD2' ' HB ' ' A' ' 35' ' ' ILE . 32.3 Cg_endo -66.0 -49.62 2.02 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.399 176.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.24 173.96 18.85 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.845 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 75.73 -41.22 0.43 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.942 0.897 . . . . 0.0 111.053 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.49 ' O ' HD13 ' A' ' 35' ' ' ILE . 38.5 m -86.75 107.6 18.32 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.4 176.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 t -152.35 101.76 2.77 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.512 ' HB2' ' HD2' ' A' ' 44' ' ' TYR . 31.3 Cg_exo -60.35 156.95 38.02 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.79 2.326 . . . . 0.0 112.028 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.43 -36.42 92.51 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.099 -175.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.59 ' O ' ' HA ' ' A' ' 5' ' ' PRO . 10.2 p-10 -86.79 2.28 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.512 ' HD2' ' HB2' ' A' ' 41' ' ' PRO . 87.2 m-85 -121.29 14.62 11.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.75 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.91 86.57 3.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.871 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.668 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 4.3 t30 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.591 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.01 0.433 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.502 HG22 ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -131.4 144.14 50.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.318 -172.638 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 m -130.33 122.28 27.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 88.1 m -102.56 155.22 36.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.073 0.463 . . . . 0.0 111.627 -172.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 32' ' ' CYS . 22.7 Cg_exo -67.88 -76.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.885 2.39 . . . . 0.0 113.041 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -91.31 150.67 21.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.234 -177.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.406 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 50.4 mt -57.95 -46.3 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -177.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.51 -38.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.23 -4.08 30.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 26.7 ttt-85 -94.6 -44.29 7.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.931 175.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.45 ' O ' HG21 ' A' ' 15' ' ' VAL . 35.9 m -64.87 -44.47 89.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.49 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -70.0 -26.64 64.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.91 0.386 . . . . 0.0 110.216 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' HB2' HG22 ' A' ' 30' ' ' THR . 75.7 t80 -65.78 -45.11 83.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.993 173.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.9 -35.6 80.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.976 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 11' ' ' SER . 58.9 t -67.2 -38.14 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 110.197 176.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.457 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 46.0 t -68.9 -24.71 64.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.389 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -82.3 -10.02 59.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.868 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.555 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -69.87 -51.79 14.51 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.983 -179.014 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 4.1 Cg_exo -75.23 -171.51 1.02 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.024 1.816 . . . . 0.0 111.49 176.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.62 47.49 3.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.499 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -100.33 125.67 38.7 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.86 147.34 81.81 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.01 2.473 . . . . 0.0 112.939 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -54.23 -47.66 71.96 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.603 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -43.85 83.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.61 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.27 -53.58 56.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.277 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -66.1 -35.85 81.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.341 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.46 86.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.224 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 m -61.57 -46.71 88.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.129 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -65.77 -31.62 72.71 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.739 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.435 HG22 ' HB2' ' A' ' 13' ' ' PHE . 19.6 p -89.58 -14.9 34.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.782 0.325 . . . . 0.0 111.799 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.46 13.97 80.84 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -173.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.52 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 15.0 t -81.56 156.84 25.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 pt -119.72 137.58 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.187 0.518 . . . . 0.0 111.707 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.0 mt -89.88 125.9 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.591 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 pt -94.47 133.21 27.35 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.101 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -76.4 -6.66 17.31 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.764 2.309 . . . . 0.0 112.096 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.37 -173.1 45.98 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.112 -0.565 . . . . 0.0 112.015 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.7 -36.05 10.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.914 0.387 . . . . 0.0 110.923 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.1 t -115.6 153.18 31.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.023 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.8 t -89.21 141.1 28.94 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.165 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.25 167.49 7.6 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.05 2.5 . . . . 0.0 112.335 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.06 -37.3 8.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.278 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.51 -35.49 80.63 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.538 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -110.82 27.11 9.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.913 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.81 100.27 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.486 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.583 ' HB3' ' O ' ' A' ' 4' ' ' CYS . 27.8 t-20 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.97 -1.014 . . . . 0.0 108.494 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.08 0.467 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.42 HG22 ' SG ' ' A' ' 32' ' ' CYS . 6.3 m -116.05 125.57 52.61 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.132 -176.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.9 m -124.93 113.22 17.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.068 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.8 m -101.33 152.71 38.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.181 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.544 ' HG3' ' CZ ' ' A' ' 44' ' ' TYR . 16.2 Cg_exo -69.91 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.763 2.309 . . . . 0.0 112.527 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -70.74 149.08 47.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.353 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.541 HG12 ' ND2' ' A' ' 46' ' ' ASN . 51.2 mt -61.62 -43.01 96.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.182 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.49 -29.56 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.56 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.76 96.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.315 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -65.67 -41.1 92.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.71 0.29 . . . . 0.0 110.506 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.496 ' O ' HG22 ' A' ' 15' ' ' VAL . 13.6 m -57.96 -48.72 79.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.04 -37.32 87.0 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.1 0.476 . . . . 0.0 110.39 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -61.83 -38.72 89.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.322 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.09 -32.47 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 11' ' ' SER . 88.9 t -66.86 -35.04 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.076 0.465 . . . . 0.0 110.197 175.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.719 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 6.7 t -61.64 -45.96 91.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.509 . . . . 0.0 111.238 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.936 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 68.5 mtp180 -85.26 10.35 12.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.475 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.508 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 6.4 tt -76.31 -56.71 1.49 Allowed Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.23 177.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.508 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 39.4 Cg_endo -69.49 -51.25 0.42 Allowed 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 121.358 1.372 . . . . 0.0 111.671 175.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.92 55.03 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.3 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.719 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 8.0 m -111.3 134.48 21.12 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.91 143.35 82.38 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.144 2.562 . . . . 0.0 113.515 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.936 ' HG2' ' HD2' ' A' ' 17' ' ' ARG . 41.9 mt-10 -55.58 -58.15 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.722 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.08 -37.83 67.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.639 -174.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.68 -52.8 63.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.899 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.5 m -81.59 -25.4 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.937 -175.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.56 95.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.94 0.4 . . . . 0.0 110.325 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.2 m -72.88 -26.23 61.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.879 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.25 -30.65 18.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.938 0.399 . . . . 0.0 111.789 -175.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -102.93 -22.15 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.423 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.99 84.63 1.74 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.939 -177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.42 ' SG ' HG22 ' A' ' 2' ' ' THR . 35.2 t -164.92 154.45 13.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.7 pt -117.21 141.77 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.042 0.449 . . . . 0.0 111.479 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.404 HG12 HG21 ' A' ' 2' ' ' THR . 59.3 mt -115.19 121.74 67.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.819 176.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.2 pt -131.69 152.79 80.99 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.773 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -88.19 9.86 3.6 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.788 2.325 . . . . 0.0 111.853 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.66 -142.88 6.55 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.502 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.75 -42.98 0.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.7 m -86.11 102.12 13.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.125 0.488 . . . . 0.0 112.007 -173.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.55 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 94.5 m -107.73 117.98 54.19 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 170.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.64 144.14 99.5 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.594 2.196 . . . . 0.0 111.441 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.04 -12.66 37.8 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.333 -0.46 . . . . 0.0 112.91 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.2 -24.84 64.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.746 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.544 ' CZ ' ' HG3' ' A' ' 5' ' ' PRO . 4.4 t80 -142.53 22.78 1.99 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.738 -173.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.55 ' HB1' ' HB3' ' A' ' 40' ' ' CYS . . . -125.85 92.46 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.715 -0.394 . . . . 0.0 112.045 -175.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.541 ' ND2' HG12 ' A' ' 7' ' ' ILE . 28.8 t-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.325 -0.845 . . . . 0.0 108.916 169.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.557 ' HG1' ' HA ' ' A' ' 38' ' ' ALA . 19.5 m . . . . . 0 N--CA 1.473 0.714 0 CA-C-O 120.967 0.413 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.527 HG23 ' SG ' ' A' ' 32' ' ' CYS . 5.3 m -99.13 122.52 42.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.615 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.6 m -122.41 110.27 15.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.191 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.463 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 58.7 m -98.99 146.97 32.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.828 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.64 -75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.255 2.637 . . . . 0.0 113.622 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -92.48 163.11 13.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.381 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.777 HG12 HD22 ' A' ' 46' ' ' ASN . 51.8 mt -57.28 -53.54 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-O 121.222 0.534 . . . . 0.0 110.6 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -56.79 -29.92 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.608 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.82 91.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.419 . . . . 0.0 110.368 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.545 ' HD2' ' OXT' ' A' ' 46' ' ' ASN . 61.8 ttt180 -76.22 -33.54 59.23 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.349 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 15' ' ' VAL . 15.0 m -58.51 -53.73 55.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 175.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -60.28 -34.39 73.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.249 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -58.23 -49.29 77.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.833 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -70.48 -39.85 73.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.944 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 11' ' ' SER . 86.1 t -65.19 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.696 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.545 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 39.5 t -70.11 -37.91 75.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.197 178.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -80.83 -8.82 59.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.558 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -63.0 -51.5 70.33 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -178.378 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 2.8 Cg_exo -78.01 -162.05 0.16 Allowed 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.303 2.002 . . . . 0.0 111.787 174.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.92 67.88 3.51 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.541 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -128.4 131.29 23.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 120.599 0.238 . . . . 0.0 110.415 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HG2' ' HB3' ' A' ' 25' ' ' LEU . 12.6 Cg_endo -57.95 134.91 65.43 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.09 2.526 . . . . 0.0 112.766 178.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -57.67 -44.57 85.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.785 -178.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.19 82.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.275 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.441 ' HB3' ' HG2' ' A' ' 22' ' ' PRO . 34.6 tp -68.63 -43.22 76.78 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.455 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.55 -36.75 85.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.724 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.52 73.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.007 0.432 . . . . 0.0 110.521 177.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.8 m -61.09 -39.48 90.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.916 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -68.44 -28.19 66.84 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.722 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -97.9 -16.38 19.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.923 0.392 . . . . 0.0 111.724 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.75 17.94 62.63 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -175.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.527 ' SG ' HG23 ' A' ' 2' ' ' THR . 26.5 t -89.45 157.72 18.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.5 pt -120.48 145.55 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.063 0.459 . . . . 0.0 111.589 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.5 mt -114.41 97.86 6.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.175 174.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.0 pt -98.89 149.76 36.05 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.731 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.24 -10.45 29.0 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.012 2.475 . . . . 0.0 112.295 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.8 160.7 54.16 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.557 ' HA ' ' HG1' ' A' ' 1' ' ' THR . . . -100.57 -2.58 32.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.898 0.38 . . . . 0.0 111.304 -177.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.6 t -129.5 148.93 51.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.369 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.9 m -93.7 137.41 23.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.489 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.63 166.66 26.68 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.916 2.41 . . . . 0.0 112.322 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.26 -7.76 68.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.884 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.88 -45.47 94.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -163.7 124.72 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.667 169.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.26 93.39 3.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.332 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.777 HD22 HG12 ' A' ' 7' ' ' ILE . 19.0 t-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.63 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 110.604 -0.146 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.709 HG23 HG12 ' A' ' 34' ' ' ILE . 6.2 m -98.64 112.08 24.24 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.505 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 64.0 m -137.17 123.29 20.39 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.223 0.535 . . . . 0.0 110.472 -173.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 m -103.14 153.53 38.29 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.39 -175.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.55 -73.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.465 2.777 . . . . 0.0 113.696 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -125.58 -176.91 3.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.74 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.691 ' H ' HD11 ' A' ' 7' ' ' ILE . 4.7 mp -57.32 -40.62 75.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.075 0.464 . . . . 0.0 110.834 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.17 -42.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.248 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.94 84.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.079 0.466 . . . . 0.0 110.503 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.4 -41.97 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.135 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.5 t -62.18 -43.66 98.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.375 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -57.95 -47.36 83.14 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.987 0.422 . . . . 0.0 110.665 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.94 -42.28 89.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.637 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -68.48 -47.73 66.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.664 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 11' ' ' SER . 91.3 t -65.85 -43.14 93.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.687 0.279 . . . . 0.0 111.173 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.91 -43.8 94.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.744 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 65.3 ttp85 -90.07 1.58 56.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.749 0.309 . . . . 0.0 111.342 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.435 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 23.8 tp -56.22 -50.88 84.96 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.872 -176.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 32.5 Cg_endo -66.3 -46.81 3.8 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.66 1.573 . . . . 0.0 112.266 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.1 65.02 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.654 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.658 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 5.3 m -112.8 139.56 22.98 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.29 127.68 9.28 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.221 2.614 . . . . 0.0 112.234 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.744 ' HG2' ' HD3' ' A' ' 17' ' ' ARG . 38.2 mt-10 -60.9 -41.4 96.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.955 -172.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -34.64 73.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.928 0.394 . . . . 0.0 111.198 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.34 -51.26 46.4 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.787 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.6 m -65.19 -36.69 84.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.35 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -56.94 12.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.518 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.1 m -57.44 -35.43 70.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -58.08 -38.49 76.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.144 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.6 t -104.66 0.59 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.895 0.379 . . . . 0.0 111.652 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.8 19.35 58.1 Favored Glycine 0 C--O 1.234 0.127 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.148 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.9 t -90.21 147.43 23.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 pt -117.16 137.38 51.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.347 0.594 . . . . 0.0 111.983 -174.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.709 HG12 HG23 ' A' ' 2' ' ' THR . 65.5 mt -109.27 100.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.048 172.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.5 pt -90.72 151.55 43.89 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.337 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -72.38 1.29 6.3 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.894 2.396 . . . . 0.0 112.402 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -106.22 174.65 20.69 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.79 -48.5 6.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.763 0.316 . . . . 0.0 111.347 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.1 m -90.91 125.89 35.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.871 -174.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.4 m -105.27 160.39 26.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.546 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.57 126.59 20.27 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.215 1.943 . . . . 0.0 111.067 172.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.35 -31.42 59.62 Favored Glycine 0 C--N 1.33 0.203 0 O-C-N 123.215 0.322 . . . . 0.0 113.425 -175.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.68 -25.97 66.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 0.0 111.46 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -118.23 20.34 13.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.408 0.623 . . . . 0.0 109.723 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -117.23 87.28 2.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.884 -176.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 . . . . . 0 C--N 1.316 -0.851 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.012 170.465 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -100.04 139.07 36.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.269 0.557 . . . . 0.0 110.369 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -127.24 105.32 8.47 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.735 -175.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.6 m -97.55 148.57 34.62 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -172.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.719 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 42.7 Cg_exo -43.18 -67.08 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 124.518 3.478 . . . . 0.0 114.612 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 t -120.64 165.83 14.51 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.259 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.729 HD12 ' HB3' ' A' ' 46' ' ' ASN . 26.4 mm -54.05 -42.27 54.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.979 0.419 . . . . 0.0 110.112 175.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.15 -38.05 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.774 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.13 82.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.609 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -74.61 -35.07 62.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 m -62.28 -45.86 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.606 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.02 -32.71 74.14 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.991 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -58.77 -31.79 68.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.173 0.511 . . . . 0.0 110.263 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -83.52 -44.73 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.779 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.41 -34.84 66.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.292 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.75 -31.29 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 0.0 111.083 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -90.41 2.88 55.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.824 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.522 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 34.5 tp -69.17 -49.18 25.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.371 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.522 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 92.7 Cg_endo -81.43 -163.29 0.22 Allowed 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.879 1.719 . . . . 0.0 111.33 169.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.88 73.25 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.916 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -132.5 130.47 21.81 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.93 149.58 89.64 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 123.257 2.638 . . . . 0.0 113.534 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.74 -53.59 56.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.459 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -36.19 75.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.199 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.44 -52.54 61.04 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.831 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.9 m -58.74 -42.33 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.746 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -54.32 47.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.113 0.482 . . . . 0.0 110.8 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -62.76 -37.28 85.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.113 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -68.13 -35.87 78.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.605 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p -84.52 -13.0 53.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.96 0.409 . . . . 0.0 111.465 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.75 18.04 52.57 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.4 t -92.71 141.02 28.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -178.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.41 137.08 43.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.002 0.43 . . . . 0.0 111.209 -175.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.8 mt -105.87 117.45 51.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.554 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 pt -119.14 134.51 23.67 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.037 0.446 . . . . 0.0 111.143 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -75.31 68.26 6.03 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.815 2.344 . . . . 0.0 110.91 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.92 -173.13 19.37 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.231 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.13 0.97 10.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.201 0.5 . . . . 0.0 111.196 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.4 m -141.28 125.0 16.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.415 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.4 m -81.91 159.1 66.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.075 -178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.9 147.04 92.17 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.475 2.117 . . . . 0.0 111.194 172.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -21.83 62.7 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.547 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.09 -39.73 75.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.963 0.411 . . . . 0.0 110.755 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.719 ' CD1' ' HA ' ' A' ' 5' ' ' PRO . 26.0 m-85 -126.51 84.8 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.49 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.36 87.42 2.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.034 0.445 . . . . 0.0 111.004 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.729 ' HB3' HD12 ' A' ' 7' ' ' ILE . 48.1 m-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.139 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 120.846 0.355 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.416 HG22 HG12 ' A' ' 34' ' ' ILE . 4.7 m -88.43 120.17 29.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.851 178.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -117.65 95.7 5.06 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.243 0.544 . . . . 0.0 110.496 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.4 m -97.64 156.04 36.53 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.886 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.547 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 31.5 Cg_exo -62.65 -134.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.199 2.599 . . . . 0.0 112.476 175.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -68.72 179.55 1.72 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.348 0.594 . . . . 0.0 111.552 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.48 -45.81 85.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.194 -173.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.76 -41.32 79.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.727 0.298 . . . . 0.0 110.947 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.08 94.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.857 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -59.94 -42.33 93.79 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.044 0.449 . . . . 0.0 110.467 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 15' ' ' VAL . 45.2 t -61.46 -53.15 60.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.428 178.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -59.88 -36.25 76.53 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.09 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.87 -47.37 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -68.82 -41.29 78.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.547 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 11' ' ' SER . 92.4 t -63.06 -38.3 81.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.993 0.425 . . . . 0.0 110.459 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.524 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.2 t -73.04 -29.36 62.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.52 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -80.39 -8.01 59.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.343 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.8 tt -75.98 -51.65 2.8 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.061 -178.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.557 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 16.8 Cg_exo -69.1 179.46 3.32 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.446 2.097 . . . . 0.0 112.495 177.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.57 73.54 2.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.61 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 t -136.1 146.25 55.7 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.78 135.39 69.29 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.037 2.491 . . . . 0.0 113.009 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -34.87 77.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.56 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.11 -37.23 74.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.105 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.8 tp -69.05 -47.81 64.43 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.38 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.3 m -64.31 -35.84 82.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.977 0.418 . . . . 0.0 110.775 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.27 69.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.355 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.3 m -60.6 -43.31 97.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -62.58 -36.6 83.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.668 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.1 p -89.19 -24.11 22.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.907 0.384 . . . . 0.0 111.826 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.78 18.81 39.33 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.9 t -92.84 143.02 26.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.399 . . . . 0.0 110.062 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.0 pt -123.38 148.09 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.465 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.416 HG12 HG22 ' A' ' 2' ' ' THR . 77.6 mt -116.67 105.79 18.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.038 0.447 . . . . 0.0 110.379 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 26.7 pt -92.95 141.51 24.25 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.626 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 13.2 Cg_exo -70.7 -29.84 18.82 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.838 2.359 . . . . 0.0 112.877 -177.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.01 158.75 26.86 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.811 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 78.84 153.49 0.13 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.915 0.886 . . . . 0.0 110.833 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -83.72 172.93 11.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.831 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 61.4 m -83.86 153.12 63.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.456 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.67 149.16 92.08 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.546 2.164 . . . . 0.0 111.433 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.42 -31.81 75.42 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.981 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -94.84 9.37 39.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.833 0.349 . . . . 0.0 110.623 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -140.95 29.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.262 0.553 . . . . 0.0 109.725 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.465 ' C ' HD21 ' A' ' 46' ' ' ASN . . . -132.3 87.26 2.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.926 178.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.547 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.97 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.551 ' O ' HG12 ' A' ' 35' ' ' ILE . 13.2 m . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.047 0.451 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 m -93.33 136.04 33.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.6 m -139.58 122.93 17.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.849 0.357 . . . . 0.0 110.694 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.584 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 72.4 m -111.1 147.24 36.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -173.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.79 -74.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.305 2.67 . . . . 0.0 113.372 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -77.26 147.16 36.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.049 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.657 HD12 ' H ' ' A' ' 7' ' ' ILE . 4.5 mp -61.36 -37.01 76.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.67 -35.4 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.707 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.68 77.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.528 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.467 ' HB3' ' O ' ' A' ' 7' ' ' ILE . 17.8 tpp180 -58.64 -42.47 88.4 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.268 175.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.448 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.9 t -69.08 -48.13 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.47 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.08 -36.61 75.41 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.556 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.87 -45.28 92.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.978 0.418 . . . . 0.0 110.933 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -74.8 -18.48 60.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.297 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 11' ' ' SER . 92.7 t -79.18 -38.49 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.96 0.409 . . . . 0.0 110.093 174.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.1 t -69.99 -41.39 74.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.117 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -84.03 0.23 49.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.16 0.505 . . . . 0.0 110.777 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 40.3 tp -70.27 -50.17 16.0 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 -175.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 13.9 Cg_exo -71.61 0.26 7.23 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.342 2.028 . . . . 0.0 112.855 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.32 9.33 31.75 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -73.38 129.25 86.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -49.34 136.09 31.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.34 2.693 . . . . 0.0 113.462 -176.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -40.03 90.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.674 -176.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.92 78.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.091 0.472 . . . . 0.0 110.906 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.27 -45.8 62.33 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.21 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.5 m -64.55 -37.34 87.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.248 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.63 89.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.065 0.459 . . . . 0.0 110.334 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.1 m -69.69 -33.21 72.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.78 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -74.84 -43.33 55.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.042 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -98.0 -1.31 42.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.918 0.389 . . . . 0.0 111.61 -169.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.12 68.17 1.52 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.256 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.1 t -148.47 158.62 44.23 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.6 pt -120.84 143.16 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.08 0.466 . . . . 0.0 111.79 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.8 mt -117.12 121.49 67.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.376 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 1' ' ' THR . 30.4 pt -74.14 150.96 88.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.949 0.404 . . . . 0.0 111.83 -175.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 2.2 Cg_endo -81.87 -3.28 11.7 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 123.18 2.587 . . . . 0.0 112.295 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.2 173.88 32.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.269 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 68.42 -101.52 0.05 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 124.426 1.09 . . . . 0.0 111.411 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -173.35 163.53 4.53 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.603 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 79.0 m -81.35 145.34 55.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.645 0.26 . . . . 0.0 110.437 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.75 157.31 58.82 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.734 2.29 . . . . 0.0 111.462 174.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.16 -20.94 63.42 Favored Glycine 0 C--O 1.235 0.187 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.338 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.37 -30.88 70.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 110.914 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.65 78.78 1.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.094 0.474 . . . . 0.0 110.543 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.27 105.19 7.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.103 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.584 ' HB3' ' O ' ' A' ' 4' ' ' CYS . 58.9 t30 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.118 -175.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 13.8 t -120.87 137.41 54.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.526 0.679 . . . . 0.0 111.599 -178.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.8 m -130.03 139.84 50.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.468 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.0 m -116.51 173.31 3.14 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.577 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.05 -152.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.489 2.126 . . . . 0.0 110.54 165.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -45.36 149.71 0.51 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 122.668 0.387 . . . . 0.0 111.71 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm -49.51 -33.66 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.104 0.562 . . . . 0.0 112.502 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -55.14 -30.54 24.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 121.212 0.529 . . . . 0.0 111.464 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.71 70.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.029 -0.419 . . . . 0.0 110.909 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -70.21 -38.66 75.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.726 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.6 p -63.25 -41.26 99.05 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.495 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -62.14 -40.37 95.73 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.291 174.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.714 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 82.1 t80 -60.41 -39.08 86.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.311 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -41.5 78.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.533 177.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 11' ' ' SER . 88.2 t -61.64 -39.39 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.348 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.803 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -52.38 -47.8 65.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.006 0.431 . . . . 0.0 111.545 175.107 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -88.55 5.04 44.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.794 -172.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.641 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 9.3 tt -72.39 -51.98 7.17 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.74 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.641 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.2 Cg_exo -76.16 -36.08 2.06 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.83 1.687 . . . . 0.0 111.617 176.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.62 81.57 0.22 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.189 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.803 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 2.2 m -135.09 138.51 29.46 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.599 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 88.7 Cg_exo -49.04 131.02 25.07 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 123.328 2.685 . . . . 0.0 113.977 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.714 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 34.6 tt0 -55.19 -55.4 31.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.086 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.09 79.24 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.577 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.599 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.5 tt -56.93 -59.32 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.177 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.7 m -69.15 -36.61 77.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.974 -175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.93 67.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.287 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.7 m -65.96 -32.55 74.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.139 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -72.68 -39.36 67.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.449 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -90.83 -22.08 21.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 -171.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.05 22.84 6.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.705 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 69.2 m -96.11 137.97 34.41 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 2' ' ' THR . 34.1 pt -99.19 138.85 22.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.509 -178.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -112.72 104.4 16.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.224 0.535 . . . . 0.0 110.169 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.1 pt -107.06 149.03 38.11 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.464 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -52.03 -35.67 62.28 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.368 2.712 . . . . 0.0 113.317 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.92 125.85 0.86 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.89 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 170.54 150.89 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 t -78.0 133.54 37.97 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.4 m -82.09 143.06 48.59 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.312 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.69 147.42 95.38 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.59 2.194 . . . . 0.0 110.978 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.58 -28.01 43.91 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.572 -0.347 . . . . 0.0 112.924 -176.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -55.3 -39.25 69.68 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.887 0.475 . . . . 0.0 111.718 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -127.94 15.5 6.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.027 0.442 . . . . 0.0 110.871 -175.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.91 85.87 7.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.174 0.511 . . . . 0.0 109.99 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.967 179.816 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.0 0.429 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 m -114.07 113.34 24.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 57.0 m -120.2 130.71 54.67 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.644 -172.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.0 m -101.91 172.45 4.38 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.981 -174.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.63 -165.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.662 2.241 . . . . 0.0 111.438 169.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -56.01 164.56 1.18 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.156 0.503 . . . . 0.0 111.532 -175.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.4 mt -44.07 -45.38 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 114.855 -1.066 . . . . 0.0 113.253 -169.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -51.49 -52.71 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.45 71.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.257 0.551 . . . . 0.0 110.54 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 3.4 tmt_? -66.22 -35.26 79.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.951 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 15' ' ' VAL . 36.7 m -65.91 -44.98 83.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.448 175.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -62.86 -31.66 72.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.9 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -58.16 -49.98 75.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.497 173.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -64.52 -38.48 91.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.066 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 11' ' ' SER . 73.6 t -66.23 -32.33 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.732 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.518 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.5 t -64.82 -38.99 92.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.362 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 21' ' ' THR . 74.4 ttt180 -86.16 -3.17 58.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.088 0.47 . . . . 0.0 110.912 -177.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.543 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 5.7 tt -63.34 -50.05 76.15 Favored Pre-proline 0 CA--C 1.541 0.604 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.79 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 7.3 Cg_exo -74.85 15.31 0.72 Allowed 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.294 1.996 . . . . 0.0 112.796 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.32 39.98 11.88 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.882 176.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 58.5 m -99.27 132.98 22.42 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.547 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 81.7 Cg_exo -45.38 140.39 8.4 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.723 2.948 . . . . 0.0 114.038 -176.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -47.47 85.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.909 -176.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.36 94.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.073 0.463 . . . . 0.0 110.925 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.5 tt -58.11 -55.19 38.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.896 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.8 m -62.99 -38.28 90.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.352 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.87 80.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 110.822 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.0 m -68.94 -31.32 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -72.3 -34.99 68.55 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.226 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 p -88.3 -36.37 16.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.879 0.371 . . . . 0.0 111.397 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.64 30.77 2.3 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.395 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.6 m -85.9 147.2 26.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.0 pt -107.99 138.35 34.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.098 0.475 . . . . 0.0 111.205 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 34' ' ' ILE . 4.2 mp -97.25 137.25 25.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.701 176.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.9 pt -122.81 133.44 24.46 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-O 120.771 0.32 . . . . 0.0 110.941 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -75.55 -13.05 20.43 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.824 2.349 . . . . 0.0 111.746 174.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.56 -159.42 31.01 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.44 ' O ' ' HB ' ' A' ' 39' ' ' THR . . . 73.44 -16.01 0.52 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.748 0.819 . . . . 0.0 112.735 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 55.2 m 67.94 145.68 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.454 0.645 . . . . 0.0 112.358 177.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 65.7 m -81.57 140.27 47.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.446 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 21.3 Cg_exo -66.42 164.86 26.87 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.79 2.327 . . . . 0.0 111.524 175.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.04 -33.1 82.76 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.716 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.3 -46.52 83.1 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.284 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.425 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 51.5 m-85 -105.1 22.01 16.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.356 -177.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.8 85.44 6.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.315 0.579 . . . . 0.0 109.47 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.458 ' HB3' ' HG3' ' A' ' 10' ' ' ARG . 33.9 m-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.671 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.618 HG23 ' HA ' ' A' ' 38' ' ' ALA . 9.7 p . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 t -94.72 107.68 19.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.714 0.768 . . . . 0.0 109.031 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.4 m -131.2 129.3 41.49 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.437 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.5 m -108.8 160.0 28.92 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.431 -173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -53.41 -64.87 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.022 2.481 . . . . 0.0 112.268 173.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -121.15 159.85 24.97 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.168 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.5 mm -57.92 -31.74 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.772 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.0 t -53.51 -42.65 50.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.743 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.26 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.804 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -66.47 -45.31 80.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.616 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 15' ' ' VAL . 48.0 m -64.99 -36.62 84.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.772 0.32 . . . . 0.0 110.25 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -60.37 -44.73 95.32 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -58.11 -43.21 87.05 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.822 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -62.62 -49.08 76.63 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.102 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 11' ' ' SER . 74.9 t -64.17 -37.42 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.079 0.466 . . . . 0.0 110.582 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.2 t -61.86 -45.27 94.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 23' ' ' GLU . 69.5 mtp180 -87.32 8.6 23.63 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.1 tp -58.88 -47.84 97.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.55 -178.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 83.5 Cg_endo -82.54 11.42 3.21 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.15 1.9 . . . . 0.0 113.001 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.97 7.74 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.962 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -76.61 137.41 67.08 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -45.44 136.44 11.74 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.274 2.649 . . . . 0.0 112.984 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 17' ' ' ARG . 1.5 pm0 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.461 -177.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.62 94.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.431 . . . . 0.0 110.591 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.64 -57.43 12.73 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.275 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.2 m -67.24 -35.49 79.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.679 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.42 99.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.557 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -71.2 -39.74 71.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.617 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.82 -35.35 80.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.5 p -87.67 -51.6 5.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.972 0.415 . . . . 0.0 111.71 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.02 21.84 3.38 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -173.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.98 138.9 32.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.1 pt -101.47 140.48 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.624 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.5 mt -111.34 100.67 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.134 0.492 . . . . 0.0 109.787 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 1' ' ' THR . 25.5 pt -109.6 151.94 42.52 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.935 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.99 -29.26 66.48 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.953 2.436 . . . . 0.0 112.661 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.26 142.88 23.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.11 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.618 ' HA ' HG23 ' A' ' 1' ' ' THR . . . -87.24 -15.72 37.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.024 0.44 . . . . 0.0 110.386 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 t -78.66 110.2 13.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.693 0.759 . . . . 0.0 111.587 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.6 m -122.14 122.8 27.45 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 171.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.28 152.21 77.82 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.481 2.121 . . . . 0.0 111.002 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.8 -22.46 33.75 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.257 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.9 -35.74 69.34 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 123.219 0.608 . . . . 0.0 111.714 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -135.13 17.47 3.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.208 0.528 . . . . 0.0 110.813 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.93 85.82 5.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.042 0.448 . . . . 0.0 110.402 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 . . . . . 0 C--N 1.316 -0.887 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.158 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.3 m -115.37 126.15 54.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.758 0.313 . . . . 0.0 110.872 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.0 m -143.01 144.63 32.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.843 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 m -128.29 146.41 59.52 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.66 -171.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.488 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 7.9 Cg_exo -72.17 162.59 41.24 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.519 2.146 . . . . 0.0 110.73 172.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t 57.16 121.27 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.723 0.773 . . . . 0.0 112.787 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -58.62 -33.55 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.865 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.48 -43.73 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.447 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.563 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . . . -68.05 -44.77 75.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -64.29 -29.32 70.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 110.293 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 t -68.42 -55.6 11.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.474 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.563 ' ND2' ' HA ' ' A' ' 9' ' ' ALA . 9.4 p30 -70.03 -23.42 63.11 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.903 -177.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -55.1 -44.37 74.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.067 0.46 . . . . 0.0 110.232 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -72.44 -33.38 67.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.0 t -68.87 -28.01 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.205 0.526 . . . . 0.0 110.31 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.6 t -64.28 -35.23 80.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.554 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -87.2 -1.96 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -67.33 -52.12 30.51 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.743 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 22.9 Cg_exo -66.18 -24.4 51.55 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.047 1.832 . . . . 0.0 111.631 175.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.11 28.71 1.78 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.067 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -86.09 128.25 58.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.48 143.24 36.26 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.344 2.696 . . . . 0.0 113.242 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -37.47 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.452 -176.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.59 -53.66 53.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.791 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.24 -43.68 90.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.226 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -61.49 -37.02 82.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.687 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.571 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . . . -64.43 -48.98 73.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.988 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m -61.77 -33.26 73.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.031 0.443 . . . . 0.0 111.333 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -77.89 -27.8 49.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.383 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.8 p -99.35 -24.84 14.68 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.77 14.59 36.71 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -175.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.571 ' HB3' ' HA ' ' A' ' 27' ' ' ALA . 49.7 t -76.44 152.26 36.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.182 -0.509 . . . . 0.0 110.259 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.9 pt -116.77 138.92 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.388 0.613 . . . . 0.0 111.677 -176.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.8 mt -109.5 104.87 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.467 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 pt -109.56 142.37 25.57 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.3 -175.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.7 -11.83 22.1 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.696 2.264 . . . . 0.0 112.079 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.77 149.17 49.37 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.06 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.24 66.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.724 0.297 . . . . 0.0 111.358 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 m -119.05 140.28 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.415 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.8 m -82.05 144.63 51.42 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.446 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -58.86 142.05 98.65 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.492 2.128 . . . . 0.0 111.944 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.4 -25.29 40.85 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.963 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.18 -34.91 64.25 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.746 0.308 . . . . 0.0 111.409 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -116.01 26.04 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.142 0.496 . . . . 0.0 110.892 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.8 86.82 6.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.039 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.676 0.274 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.421 ' HA ' HD13 ' A' ' 34' ' ' ILE . 7.3 m -86.79 127.62 35.01 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.212 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -126.45 108.84 11.56 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.5 m -110.24 145.21 31.68 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.746 -0.207 . . . . 0.0 110.914 -174.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.616 ' HA ' ' HD1' ' A' ' 44' ' ' TYR . 82.5 Cg_exo -50.98 -69.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.502 2.801 . . . . 0.0 113.33 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -118.48 170.96 8.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.561 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.39 -33.11 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.66 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.0 -39.37 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.51 90.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.771 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 39.7 ttm-85 -66.24 -35.98 81.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.766 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 15' ' ' VAL . 24.1 t -59.82 -49.89 75.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.138 178.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -70.0 -31.22 68.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 10' ' ' ARG . 64.5 t80 -55.18 -46.45 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.233 173.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -67.54 -35.52 79.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.076 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 11' ' ' SER . 83.9 t -62.42 -43.88 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.481 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.587 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 33.8 t -67.63 -37.8 82.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.883 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.769 ' HE ' ' HG2' ' A' ' 23' ' ' GLU . 43.0 ttt-85 -83.54 2.17 38.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.866 -175.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 49.0 tp -77.28 -51.05 2.06 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.027 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 16.5 Cg_exo -69.37 -10.97 30.27 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.03 1.82 . . . . 0.0 112.756 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.84 35.73 2.33 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.783 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.678 ' HB ' ' SG ' ' A' ' 26' ' ' CYS . 1.9 m -90.94 134.79 29.6 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.749 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 76.3 Cg_exo -42.14 136.29 3.77 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.546 2.831 . . . . 0.0 113.697 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.769 ' HG2' ' HE ' ' A' ' 17' ' ' ARG . 29.6 mt-10 -56.77 -54.07 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.04 -175.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -32.71 74.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.275 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.749 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -63.18 -54.89 30.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.298 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.678 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 87.6 m -58.58 -32.44 68.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.16 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.03 -60.58 3.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.385 . . . . 0.0 110.585 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -65.75 -33.66 76.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.194 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.53 -36.6 81.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.232 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 m -100.69 -38.52 8.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.601 -172.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.51 63.09 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.782 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.9 t -152.66 149.59 28.58 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.1 pt -110.93 138.41 39.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.313 0.577 . . . . 0.0 111.884 -174.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 2' ' ' THR . 46.0 mm -102.19 139.45 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.097 175.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 46.7 pt -135.0 148.0 65.07 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.378 177.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 4.6 Cg_exo -78.23 10.96 2.51 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.009 2.472 . . . . 0.0 112.107 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.29 158.83 17.32 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.24 -45.18 23.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.741 0.305 . . . . 0.0 111.427 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.4 m -92.07 126.15 37.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.644 -174.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.7 m -87.84 142.21 32.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.276 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.69 141.8 98.0 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.302 2.001 . . . . 0.0 111.134 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.51 -23.08 60.02 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.963 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.4 -33.43 75.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.945 0.402 . . . . 0.0 110.481 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.616 ' HD1' ' HA ' ' A' ' 5' ' ' PRO . 53.2 m-85 -131.02 42.78 3.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.328 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.48 85.48 2.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.198 0.523 . . . . 0.0 110.458 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.244 0.785 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.075 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.451 HG22 ' SG ' ' A' ' 3' ' ' CYS . 2.8 m . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.625 HG23 HG12 ' A' ' 34' ' ' ILE . 2.5 m -113.69 115.91 28.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.932 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.785 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 24.7 m -133.84 128.59 35.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.363 -171.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.0 m -107.66 154.68 40.72 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.432 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.05 -68.99 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.246 2.63 . . . . 0.0 112.48 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -118.8 168.42 10.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.385 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.89 -27.71 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.962 0.411 . . . . 0.0 110.29 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.48 -35.91 66.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.227 0.537 . . . . 0.0 109.783 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -36.64 76.4 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.409 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttm-85 -63.59 -41.03 98.37 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.5 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 15' ' ' VAL . 49.4 m -61.04 -50.71 72.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.047 0.451 . . . . 0.0 110.233 175.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.08 -36.16 72.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.648 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 85.1 t80 -59.33 -54.32 48.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.766 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -73.09 -27.41 61.7 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.091 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 11' ' ' SER . 73.2 t -66.6 -37.13 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.555 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 37.9 t -67.38 -36.94 82.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -80.75 -13.54 58.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.937 -176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 55.1 tp -61.02 -49.71 87.78 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.555 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 24.0 Cg_exo -66.52 -0.42 4.37 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.402 2.068 . . . . 0.0 113.555 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.33 19.05 17.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.348 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -80.6 138.05 51.15 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.577 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 53.8 Cg_exo -52.02 146.7 28.82 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.172 2.581 . . . . 0.0 113.568 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.566 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 38.8 tt0 -63.84 -49.67 71.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.03 -178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -34.85 78.34 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.099 0.476 . . . . 0.0 110.843 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.8 tt -62.51 -54.83 34.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.881 177.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -66.34 -29.69 69.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.571 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.2 -51.18 71.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 0.0 110.013 175.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -70.29 -32.8 70.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.614 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.17 -32.64 74.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.976 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 m -102.26 -39.59 7.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.512 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.49 12.6 6.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.122 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.7 m -85.4 143.0 28.87 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 pt -105.71 137.43 35.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.057 0.456 . . . . 0.0 110.844 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.625 HG12 HG23 ' A' ' 2' ' ' THR . 71.0 mt -118.88 98.03 5.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.46 176.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.5 pt -111.65 137.03 21.09 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.929 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -88.96 1.05 6.17 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.699 2.266 . . . . 0.0 112.462 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.67 117.43 5.71 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.986 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 49.56 -94.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 124.409 1.083 . . . . 0.0 112.977 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -163.94 175.96 9.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.784 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 18.6 m -97.75 158.15 33.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.47 140.12 82.59 Favored 'Trans proline' 0 C--O 1.239 0.544 0 C-N-CA 122.383 2.055 . . . . 0.0 111.363 173.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.76 62.45 2.81 Favored Glycine 0 N--CA 1.454 -0.146 0 CA-C-N 116.325 -0.398 . . . . 0.0 113.117 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -171.03 -33.11 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -99.41 6.24 46.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.558 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.785 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -102.7 86.44 2.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.091 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 . . . . . 0 C--O 1.243 0.74 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.612 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.857 0.36 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.2 m -91.78 130.39 37.57 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.24 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.3 m -134.25 148.13 50.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.173 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.8 t -155.32 143.46 14.38 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -172.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 2.7 Cg_exo -77.65 160.0 31.59 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.498 2.132 . . . . 0.0 111.094 170.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t 59.5 124.72 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.846 0.831 . . . . 0.0 112.641 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.58 HD13 ' HB3' ' A' ' 46' ' ' ASN . 45.5 mm -60.52 -33.75 55.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.205 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.14 -35.75 75.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.986 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.98 90.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.881 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttm-85 -66.82 -33.53 75.82 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 110.101 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.448 ' O ' HG23 ' A' ' 15' ' ' VAL . 45.8 m -65.07 -45.85 83.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.101 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.49 -38.54 81.14 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.446 ' HZ ' ' HB2' ' A' ' 23' ' ' GLU . 51.3 t80 -56.54 -47.36 79.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.983 175.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -66.58 -40.69 89.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.372 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 11' ' ' SER . 99.7 t -62.66 -37.87 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.893 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.41 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 38.6 t -66.54 -38.88 88.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.213 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 21' ' ' THR . 75.1 ttt180 -80.24 -22.63 41.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.754 -175.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.532 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.8 tp -51.45 -51.29 70.55 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.7 Cg_exo -74.41 12.21 1.12 Allowed 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.531 2.154 . . . . 0.0 113.707 -175.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.02 57.03 1.17 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.204 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.561 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 3.2 m -128.5 131.88 24.03 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.77 136.92 73.48 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.971 2.448 . . . . 0.0 112.272 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.446 ' HB2' ' HZ ' ' A' ' 13' ' ' PHE . 12.9 pt-20 -61.72 -38.01 86.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.927 -174.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.21 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.72 -50.81 69.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.2 m -66.47 -37.45 85.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.792 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.57 89.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.989 0.423 . . . . 0.0 110.523 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -68.1 -25.7 65.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.188 0.518 . . . . 0.0 110.523 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -78.13 -35.34 49.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.971 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.2 p -87.46 -16.05 35.9 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.21 22.06 16.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.081 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.9 m -94.34 162.74 13.71 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 pt -117.54 143.63 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.979 0.419 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 82.6 mt -118.37 118.4 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 pt -113.4 145.5 33.41 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -64.5 -19.55 65.21 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.912 2.408 . . . . 0.0 111.598 175.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.8 154.96 45.64 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.959 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.58 -29.32 41.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.9 m -139.47 135.53 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.879 0.371 . . . . 0.0 111.215 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.1 m -94.72 164.96 18.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.818 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.47 125.79 19.44 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 121.83 1.686 . . . . 0.0 110.361 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.73 -18.68 62.02 Favored Glycine 0 N--CA 1.455 -0.06 0 C-N-CA 121.363 -0.446 . . . . 0.0 113.061 -173.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.94 -32.15 71.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 110.178 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -102.83 -4.56 24.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.006 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.23 101.64 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.053 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.58 ' HB3' HD13 ' A' ' 7' ' ' ILE . 13.3 m120 . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.438 -0.792 . . . . 0.0 109.722 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.609 0.242 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 m -103.44 131.94 50.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.694 0.283 . . . . 0.0 110.547 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.407 ' HB3' ' HD1' ' A' ' 44' ' ' TYR . 40.5 m -124.79 105.78 9.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.027 0.441 . . . . 0.0 110.233 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 78.3 m -106.48 142.05 24.09 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 -177.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -43.73 -66.15 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.378 2.719 . . . . 0.0 112.795 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -120.18 160.62 22.55 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.762 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.03 -31.2 36.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.972 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.9 t -53.36 -37.07 28.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.405 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -67.75 -40.12 84.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.849 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -68.99 -40.69 78.62 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 110.444 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -58.85 -43.31 90.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.412 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -73.93 -31.49 63.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -57.03 -49.76 74.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.746 0.308 . . . . 0.0 110.973 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -63.9 -40.98 97.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.8 t -62.65 -42.33 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.956 0.408 . . . . 0.0 110.583 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.544 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 41.6 t -64.05 -32.68 74.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.366 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.605 ' HD2' ' HG3' ' A' ' 23' ' ' GLU . 18.4 ttp180 -87.61 3.62 46.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 111.119 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.602 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 5.4 tt -74.87 -49.48 4.42 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.4 Cg_exo -75.46 -169.52 0.67 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.028 1.818 . . . . 0.0 111.303 171.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.36 71.21 2.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.696 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.72 127.45 22.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.7 152.65 77.03 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.962 2.442 . . . . 0.0 113.028 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.605 ' HG3' ' HD2' ' A' ' 17' ' ' ARG . 7.0 mp0 -62.44 -49.53 75.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.636 -177.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.22 -32.52 70.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.109 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.41 -54.47 16.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.2 m -60.92 -36.87 80.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.728 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -57.49 12.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.6 m -65.43 -32.71 74.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.855 0.359 . . . . 0.0 111.0 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -64.07 -34.53 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p -92.26 -12.23 33.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.119 0.485 . . . . 0.0 111.006 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.98 14.11 65.27 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.737 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.0 t -92.5 157.63 16.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 pt -125.9 137.74 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.233 0.539 . . . . 0.0 111.273 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.3 mt -104.79 112.74 39.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.854 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.45 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 41.8 pt -97.1 143.27 25.83 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.833 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 14.5 Cg_exo -69.56 -16.05 38.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 123.101 2.534 . . . . 0.0 111.921 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.65 140.8 26.6 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.035 -0.603 . . . . 0.0 111.851 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.39 -7.93 58.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.657 0.265 . . . . 0.0 111.553 -176.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -114.03 106.21 14.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.843 0.354 . . . . 0.0 111.106 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 46.5 t -93.41 131.09 33.43 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 37.5 Cg_exo -57.78 128.23 28.29 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.62 2.213 . . . . 0.0 111.639 178.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.47 52.42 Favored Glycine 0 C--N 1.329 0.16 0 O-C-N 123.365 0.416 . . . . 0.0 113.195 -175.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.07 -42.97 96.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.987 0.423 . . . . 0.0 111.469 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.407 ' HD1' ' HB3' ' A' ' 3' ' ' CYS . 2.7 t80 -97.45 -5.2 36.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.144 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.36 87.0 5.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.241 0.543 . . . . 0.0 110.498 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 36.8 m-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.396 -0.812 . . . . 0.0 109.545 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.431 ' HA ' ' OE1' ' A' ' 23' ' ' GLU . 26.6 m . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -81.41 140.96 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.311 0.577 . . . . 0.0 111.571 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.3 m -116.27 134.32 55.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.468 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 71.8 m -109.77 147.02 35.29 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.054 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -48.03 -72.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.653 2.902 . . . . 0.0 113.065 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -118.82 169.29 9.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.218 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -57.54 -29.86 35.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.015 0.436 . . . . 0.0 110.643 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -52.47 -48.35 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.654 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -64.03 -40.69 96.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.948 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -63.93 -41.0 97.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.023 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.8 p -62.91 -32.62 73.94 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.769 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.51 -39.95 67.22 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -60.33 -41.11 92.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.788 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -56.09 -43.58 78.19 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.395 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.44 -41.13 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.745 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.1 t -61.03 -37.43 82.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.508 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 21' ' ' THR . 10.2 ttp180 -88.98 8.88 27.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.046 0.45 . . . . 0.0 111.436 -175.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.554 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.4 tm? -58.68 -49.96 90.63 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.202 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 13.5 Cg_exo -71.42 -2.58 11.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 122.311 2.008 . . . . 0.0 113.291 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.67 26.65 12.76 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.257 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 5.4 m -72.1 129.93 87.15 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -51.01 144.06 29.16 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.838 2.359 . . . . 0.0 112.17 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' A' ' 1' ' ' THR . 13.5 pt-20 -62.95 -35.21 79.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.758 -172.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.91 94.17 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.939 0.4 . . . . 0.0 110.981 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.47 -49.9 74.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.076 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.4 m -69.2 -31.7 70.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.763 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.87 -49.51 73.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.798 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.4 m -67.08 -25.26 66.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.073 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.54 -13.54 48.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.165 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m -114.42 -27.85 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.667 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.75 19.21 9.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.162 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.6 m -91.88 158.19 16.44 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.4 pt -98.23 154.87 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 110.653 -177.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -115.46 110.87 33.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.166 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 pt -114.12 147.2 37.33 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.155 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.92 25.5 0.63 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.937 2.424 . . . . 0.0 112.075 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.71 157.46 16.18 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.834 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.14 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 t -123.51 164.2 19.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.989 0.423 . . . . 0.0 111.345 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.8 m -101.07 148.66 35.41 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.322 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.45 146.26 91.07 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.267 2.645 . . . . 0.0 112.719 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.0 61.83 2.13 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.798 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -170.2 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.57 0.7 . . . . 0.0 109.116 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -116.69 14.0 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.539 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.11 87.6 6.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.257 177.4 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.781 HG23 HG12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -79.31 118.53 21.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.313 0.245 . . . . 0.0 110.59 177.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.3 m -106.68 103.5 12.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.4 m -105.45 162.86 18.43 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.713 -0.222 . . . . 0.0 110.877 -175.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -70.48 -149.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.158 2.572 . . . . 0.0 111.663 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -41.7 143.35 0.52 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.752 0.421 . . . . 0.0 111.847 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.1 mm -49.22 -38.72 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.448 -172.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.1 t -61.3 -34.28 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.975 0.416 . . . . 0.0 111.175 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.03 94.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.349 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 52.1 ttm-85 -64.85 -37.1 86.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.06 0.457 . . . . 0.0 110.428 177.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 15' ' ' VAL . 17.8 m -61.3 -46.2 91.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.415 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.27 -37.6 88.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.215 0.531 . . . . 0.0 110.141 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.701 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 65.2 t80 -58.18 -43.97 87.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.95 176.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.88 -36.17 77.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.886 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 11' ' ' SER . 82.5 t -60.99 -40.51 85.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.371 . . . . 0.0 110.275 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.529 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 35.8 t -62.51 -38.75 91.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.126 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -79.82 -15.17 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.76 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.4 tm? -56.45 -52.29 74.41 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-O 119.44 -0.314 . . . . 0.0 111.605 -176.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 15.7 Cg_exo -70.23 7.63 1.08 Allowed 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.34 2.027 . . . . 0.0 113.426 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.1 36.72 6.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.233 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -94.47 133.04 27.61 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 72.5 Cg_exo -49.44 142.4 23.14 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.097 2.531 . . . . 0.0 113.11 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.701 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 48.8 tt0 -60.92 -46.47 90.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.841 -177.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -36.33 80.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.946 0.403 . . . . 0.0 111.068 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -64.19 -51.73 62.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.069 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.8 m -67.89 -29.52 68.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.522 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.64 80.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.249 0.547 . . . . 0.0 110.102 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 m -80.73 -39.67 26.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.613 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -64.98 -41.38 95.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.658 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 m -102.72 -42.85 5.75 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.266 -172.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.29 89.97 0.93 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.279 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' SG ' HG22 ' A' ' 2' ' ' THR . 43.4 t -167.5 155.71 9.31 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 pt -115.41 145.99 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.332 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.781 HG12 HG23 ' A' ' 2' ' ' THR . 50.2 mt -121.68 117.9 54.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.988 -175.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 pt -97.52 121.1 59.26 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 169.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.8 -11.35 28.86 Favored 'Trans proline' 0 N--CA 1.474 0.365 0 C-N-CA 123.09 2.526 . . . . 0.0 113.294 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.77 159.05 27.93 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 75.87 146.31 0.09 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.17 162.53 25.7 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.1 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 57.7 m -80.44 140.8 52.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 31.6 Cg_exo -59.33 141.65 98.0 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.199 . . . . 0.0 111.426 175.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.23 -28.72 50.7 Favored Glycine 0 C--N 1.331 0.298 0 O-C-N 123.314 0.384 . . . . 0.0 113.032 -176.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.72 -44.48 90.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.0 111.532 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -116.42 21.3 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.331 0.586 . . . . 0.0 110.154 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.34 86.84 7.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.285 0.564 . . . . 0.0 110.216 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.43 178.438 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.48 0.181 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.651 HG23 HG12 ' A' ' 34' ' ' ILE . 4.7 m -79.41 111.52 15.75 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 172.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.6 m -137.04 105.47 5.77 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.36 0.6 . . . . 0.0 110.881 -172.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.443 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 20.1 m -107.04 162.53 19.4 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.615 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.87 -153.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.653 2.235 . . . . 0.0 111.909 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.482 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 13.2 t -41.94 142.71 0.65 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.325 0.25 . . . . 0.0 111.547 -178.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.7 mt -41.51 -42.45 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.009 0.924 . . . . 0.0 112.591 -171.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -53.76 -36.74 30.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.718 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.01 84.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.746 0.308 . . . . 0.0 110.92 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 13.6 ttp85 -67.35 -34.91 78.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.068 0.461 . . . . 0.0 110.251 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 15' ' ' VAL . 17.7 m -64.37 -44.67 90.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.322 175.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -60.27 -36.97 79.04 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -58.15 -44.69 88.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.112 0.482 . . . . 0.0 110.371 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.439 ' HA ' ' HB3' ' A' ' 17' ' ' ARG . 34.6 m-80 -73.41 -18.69 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.736 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 11' ' ' SER . 96.3 t -67.43 -38.13 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.049 0.452 . . . . 0.0 109.881 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.778 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 30.7 t -78.72 -26.65 44.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.674 0.75 . . . . 0.0 110.169 176.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.439 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 22.0 tpt180 -76.98 -7.17 55.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.287 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.639 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 43.6 tp -77.47 -52.99 1.65 Allowed Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.886 -177.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.639 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 12.6 Cg_exo -70.97 -36.44 7.6 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.924 1.749 . . . . 0.0 112.053 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.58 39.43 0.62 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.735 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.778 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 26.0 m -92.16 142.52 26.32 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.603 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 78.1 Cg_exo -35.38 123.23 0.23 Allowed 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.68 2.92 . . . . 0.0 113.67 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.02 -45.34 85.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.126 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.37 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.975 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.2 tt -58.23 -59.09 5.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.212 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 29' ' ' TYR . 67.4 m -75.07 -19.12 60.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.268 -175.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.09 -45.92 75.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.218 0.532 . . . . 0.0 109.687 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -69.24 -31.07 69.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.105 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.414 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 81.4 t80 -70.89 -28.24 64.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.555 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -96.05 -3.16 45.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.752 0.31 . . . . 0.0 111.456 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.49 26.17 61.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.409 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.4 t -98.69 158.45 15.61 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.5 pt -122.93 137.18 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.235 0.54 . . . . 0.0 110.792 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.651 HG12 HG23 ' A' ' 2' ' ' THR . 73.7 mt -117.48 97.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.0 pt -107.09 154.31 40.47 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.757 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -77.1 -7.7 17.33 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.508 2.139 . . . . 0.0 112.274 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.1 -179.12 24.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.452 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.13 -7.56 19.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.684 -0.304 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 m -72.72 81.65 1.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.241 0.543 . . . . 0.0 111.025 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 77.2 m -109.01 132.12 21.38 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.065 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.95 151.11 80.28 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.719 2.279 . . . . 0.0 111.546 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.7 -26.8 63.06 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 121.308 -0.472 . . . . 0.0 112.36 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.95 -22.13 65.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.192 0.52 . . . . 0.0 110.396 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -108.14 24.43 13.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.623 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.62 100.23 7.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.741 0.305 . . . . 0.0 111.059 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.482 ' OD1' ' HA ' ' A' ' 6' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.217 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.755 ' HB ' HG23 ' A' ' 35' ' ' ILE . 7.3 m . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.3 m -129.67 136.61 49.93 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 122.326 -0.233 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m -124.53 122.69 38.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.008 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.519 ' SG ' ' HB1' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -127.79 147.7 63.95 Favored Pre-proline 0 C--N 1.317 -0.827 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.318 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -69.44 148.49 67.24 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.695 1.597 . . . . 0.0 112.895 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t 45.38 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.427 -1.261 . . . . 0.0 111.513 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.606 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 47.6 mt -91.06 -23.04 6.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 t -55.91 -45.76 80.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.484 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.519 ' HB1' ' SG ' ' A' ' 4' ' ' CYS . . . -65.91 -40.31 91.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.375 -175.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 17.8 ttm180 -66.97 -39.86 87.33 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' HG23 ' A' ' 15' ' ' VAL . 37.5 t -56.88 -50.77 71.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.978 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -67.73 -32.84 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -60.22 -51.66 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.588 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.79 -41.78 99.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.937 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.519 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 77.4 t -61.62 -42.82 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.215 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.57 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 36.9 t -63.49 -40.31 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.429 . . . . 0.0 111.25 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -75.54 -20.54 58.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 54.5 tp -58.89 -51.5 81.41 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 -175.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.57 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 23.3 Cg_exo -65.83 -12.28 34.53 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.123 1.882 . . . . 0.0 112.934 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.03 5.35 15.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.642 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -66.8 134.74 94.15 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.578 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 88.7 Cg_exo -47.85 133.08 22.39 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.167 2.578 . . . . 0.0 113.04 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -58.83 -43.77 90.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.902 -177.562 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.45 84.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.9 tt -63.3 -50.23 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.995 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.9 m -62.84 -37.06 85.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.72 95.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.699 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.8 m -70.8 -32.13 69.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.711 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -72.25 -39.71 68.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.104 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.7 p -82.81 -37.32 24.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 0.0 111.107 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.97 36.55 2.15 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.768 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 66.3 m -92.96 147.4 22.87 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.57 138.24 30.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 110.289 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.0 mt -96.57 113.84 31.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.508 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.755 HG23 ' HB ' ' A' ' 1' ' ' THR . 4.6 tt -112.7 124.84 30.97 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.894 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 16.1 Cg_exo -70.07 -14.64 35.34 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 123.125 2.55 . . . . 0.0 112.269 177.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.481 ' H ' HG12 ' A' ' 35' ' ' ILE . . . -106.66 -168.46 22.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.131 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.08 1.71 11.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.764 0.316 . . . . 0.0 111.435 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.73 98.11 6.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.497 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -134.6 132.49 20.76 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.24 141.38 31.49 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.422 2.748 . . . . 0.0 113.028 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.47 51.47 2.58 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.718 -178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -171.08 -35.66 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -92.49 -11.5 34.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.187 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.65 87.9 3.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.677 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.606 ' OD1' ' HA ' ' A' ' 7' ' ' ILE . 6.0 t-20 . . . . . 0 C--O 1.244 0.765 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 t -135.66 149.37 49.27 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.312 0.577 . . . . 0.0 111.912 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 18.9 m -132.72 114.16 13.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.64 175.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.9 m -105.3 152.15 39.78 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.299 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.575 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 51.4 Cg_exo -59.28 -131.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.481 0.739 0 C-N-CA 123.576 2.851 . . . . 0.0 113.199 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -56.36 161.63 2.48 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 121.983 -0.448 . . . . 0.0 110.729 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.603 HG12 HD22 ' A' ' 46' ' ' ASN . 63.7 mt -47.91 -38.2 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.735 -175.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.74 -44.93 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.794 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.12 85.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.978 0.418 . . . . 0.0 110.796 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -65.4 -38.18 89.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.138 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 15' ' ' VAL . 20.3 t -63.86 -50.42 68.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.951 177.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.03 -41.1 74.44 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.693 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -57.37 -50.25 73.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.757 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -71.57 -32.14 67.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.718 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 11' ' ' SER . 95.2 t -67.24 -40.54 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.098 0.475 . . . . 0.0 109.973 175.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.513 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 50.6 t -69.69 -34.31 73.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.988 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.545 ' HD3' ' HA ' ' A' ' 23' ' ' GLU . 19.0 mmm180 -81.4 2.07 30.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.446 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.558 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 2.0 tm? -77.7 -53.36 1.53 Allowed Pre-proline 0 CA--C 1.539 0.536 0 CA-C-O 119.481 -0.295 . . . . 0.0 111.025 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 14.7 Cg_exo -69.67 -23.82 30.79 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.03 1.82 . . . . 0.0 112.377 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.55 6.0 6.87 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.297 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.479 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 5.4 m -65.87 129.29 94.26 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 21' ' ' THR . 51.2 Cg_exo -54.68 145.77 58.13 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.44 2.76 . . . . 0.0 113.124 -175.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HA ' ' HD3' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -66.28 -29.94 70.27 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.415 -175.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.49 77.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.058 0.456 . . . . 0.0 110.19 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.01 -55.12 36.62 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.273 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.1 m -55.68 -48.13 75.59 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.929 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.29 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.967 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -60.82 -31.73 71.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.077 0.465 . . . . 0.0 111.28 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -75.46 -38.51 59.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.282 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -93.21 -15.63 25.71 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.794 0.331 . . . . 0.0 111.422 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.69 32.88 5.78 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.5 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.8 t -108.24 155.47 20.44 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.6 pt -112.49 143.58 21.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.238 0.542 . . . . 0.0 112.159 -175.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.6 mt -104.87 121.98 57.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.551 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.497 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 2.6 pt -142.1 166.28 22.37 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.607 -172.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.497 ' HD2' ' HB ' ' A' ' 35' ' ' ILE . 32.3 Cg_endo -66.0 -49.62 2.02 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.399 176.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.24 173.96 18.85 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.845 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 75.73 -41.22 0.43 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.942 0.897 . . . . 0.0 111.053 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.495 ' O ' HD12 ' A' ' 35' ' ' ILE . 38.5 m -86.75 107.6 18.32 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.4 176.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 t -152.35 101.76 2.77 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.534 ' HB2' ' HD2' ' A' ' 44' ' ' TYR . 31.3 Cg_exo -60.35 156.95 38.02 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.79 2.326 . . . . 0.0 112.028 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.43 -36.42 92.51 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.099 -175.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.575 ' O ' ' HA ' ' A' ' 5' ' ' PRO . 10.2 p-10 -86.79 2.28 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.534 ' HD2' ' HB2' ' A' ' 41' ' ' PRO . 87.2 m-85 -121.29 14.62 11.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.75 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.91 86.57 3.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.871 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.603 HD22 HG12 ' A' ' 7' ' ' ILE . 12.5 t-20 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.591 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.01 0.433 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.528 HG22 ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -131.4 144.14 50.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.318 -172.638 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 m -130.33 122.28 27.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 88.1 m -102.56 155.22 36.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.073 0.463 . . . . 0.0 111.627 -172.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 32' ' ' CYS . 22.7 Cg_exo -67.88 -76.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.885 2.39 . . . . 0.0 113.041 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -91.31 150.67 21.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.234 -177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 50.4 mt -57.95 -46.3 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -177.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.51 -38.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.23 -4.08 30.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.508 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 26.7 ttt-85 -94.6 -44.29 7.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.931 175.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 15' ' ' VAL . 35.9 m -64.87 -44.47 89.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.49 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -70.0 -26.64 64.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.91 0.386 . . . . 0.0 110.216 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HB2' HG21 ' A' ' 30' ' ' THR . 75.7 t80 -65.78 -45.11 83.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.993 173.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.9 -35.6 80.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.976 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 11' ' ' SER . 58.9 t -67.2 -38.14 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 110.197 176.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 46.0 t -68.9 -24.71 64.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.389 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -82.3 -10.02 59.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.868 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -69.87 -51.79 14.51 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.983 -179.014 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.563 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 4.1 Cg_exo -75.23 -171.51 1.02 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.024 1.816 . . . . 0.0 111.49 176.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.62 47.49 3.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.499 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -100.33 125.67 38.7 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.86 147.34 81.81 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.01 2.473 . . . . 0.0 112.939 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -54.23 -47.66 71.96 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.603 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -43.85 83.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.61 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.27 -53.58 56.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.277 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -66.1 -35.85 81.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.341 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.46 86.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.224 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 m -61.57 -46.71 88.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.129 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -65.77 -31.62 72.71 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.739 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.448 HG21 ' HB2' ' A' ' 13' ' ' PHE . 19.6 p -89.58 -14.9 34.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.782 0.325 . . . . 0.0 111.799 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.46 13.97 80.84 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -173.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.539 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 15.0 t -81.56 156.84 25.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 pt -119.72 137.58 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.187 0.518 . . . . 0.0 111.707 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.0 mt -89.88 125.9 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.591 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 pt -94.47 133.21 27.35 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.101 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -76.4 -6.66 17.31 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.764 2.309 . . . . 0.0 112.096 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.37 -173.1 45.98 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.112 -0.565 . . . . 0.0 112.015 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.7 -36.05 10.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.914 0.387 . . . . 0.0 110.923 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.1 t -115.6 153.18 31.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.023 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.8 t -89.21 141.1 28.94 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.165 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.25 167.49 7.6 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.05 2.5 . . . . 0.0 112.335 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.06 -37.3 8.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.278 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.51 -35.49 80.63 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.538 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -110.82 27.11 9.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.913 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.81 100.27 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.486 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.597 ' HB3' ' O ' ' A' ' 4' ' ' CYS . 27.8 t-20 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.97 -1.014 . . . . 0.0 108.494 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.08 0.467 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.427 HG22 ' SG ' ' A' ' 32' ' ' CYS . 6.3 m -116.05 125.57 52.61 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.132 -176.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.9 m -124.93 113.22 17.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.068 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.8 m -101.33 152.71 38.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.181 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 44' ' ' TYR . 16.2 Cg_exo -69.91 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.763 2.309 . . . . 0.0 112.527 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -70.74 149.08 47.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.353 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.555 HG12 ' ND2' ' A' ' 46' ' ' ASN . 51.2 mt -61.62 -43.01 96.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.182 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.49 -29.56 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.56 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.76 96.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.315 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -65.67 -41.1 92.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.71 0.29 . . . . 0.0 110.506 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.504 ' O ' HG23 ' A' ' 15' ' ' VAL . 13.6 m -57.96 -48.72 79.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.04 -37.32 87.0 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.1 0.476 . . . . 0.0 110.39 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -61.83 -38.72 89.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.322 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -71.09 -32.47 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 11' ' ' SER . 88.9 t -66.86 -35.04 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.076 0.465 . . . . 0.0 110.197 175.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.732 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 6.7 t -61.64 -45.96 91.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.509 . . . . 0.0 111.238 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.976 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 68.5 mtp180 -85.26 10.35 12.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.475 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.535 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 6.4 tt -76.31 -56.71 1.49 Allowed Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.23 177.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 39.4 Cg_endo -69.49 -51.25 0.42 Allowed 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 121.358 1.372 . . . . 0.0 111.671 175.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.92 55.03 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.3 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.732 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 8.0 m -111.3 134.48 21.12 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.91 143.35 82.38 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.144 2.562 . . . . 0.0 113.515 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.976 ' HG2' ' HD2' ' A' ' 17' ' ' ARG . 41.9 mt-10 -55.58 -58.15 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.722 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.08 -37.83 67.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.639 -174.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.68 -52.8 63.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.899 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.5 m -81.59 -25.4 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.937 -175.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.56 95.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.94 0.4 . . . . 0.0 110.325 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.2 m -72.88 -26.23 61.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.879 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.25 -30.65 18.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.938 0.399 . . . . 0.0 111.789 -175.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -102.93 -22.15 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.423 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.99 84.63 1.74 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.939 -177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.427 ' SG ' HG22 ' A' ' 2' ' ' THR . 35.2 t -164.92 154.45 13.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.7 pt -117.21 141.77 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.042 0.449 . . . . 0.0 111.479 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.415 HG12 HG23 ' A' ' 2' ' ' THR . 59.3 mt -115.19 121.74 67.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.819 176.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.2 pt -131.69 152.79 80.99 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.773 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -88.19 9.86 3.6 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.788 2.325 . . . . 0.0 111.853 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.66 -142.88 6.55 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.502 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.75 -42.98 0.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.7 m -86.11 102.12 13.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.125 0.488 . . . . 0.0 112.007 -173.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 94.5 m -107.73 117.98 54.19 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 170.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.64 144.14 99.5 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.594 2.196 . . . . 0.0 111.441 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.04 -12.66 37.8 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.333 -0.46 . . . . 0.0 112.91 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.2 -24.84 64.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.746 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 5' ' ' PRO . 4.4 t80 -142.53 22.78 1.99 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.738 -173.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . . . -125.85 92.46 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.715 -0.394 . . . . 0.0 112.045 -175.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.555 ' ND2' HG12 ' A' ' 7' ' ' ILE . 28.8 t-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.325 -0.845 . . . . 0.0 108.916 169.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.473 0.714 0 CA-C-O 120.967 0.413 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.537 HG22 ' SG ' ' A' ' 32' ' ' CYS . 5.3 m -99.13 122.52 42.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.615 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.6 m -122.41 110.27 15.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.191 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 58.7 m -98.99 146.97 32.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.828 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.64 -75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.255 2.637 . . . . 0.0 113.622 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -92.48 163.11 13.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.381 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.732 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 51.8 mt -57.28 -53.54 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-O 121.222 0.534 . . . . 0.0 110.6 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -56.79 -29.92 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.608 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.82 91.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.419 . . . . 0.0 110.368 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.558 ' HD2' ' OXT' ' A' ' 46' ' ' ASN . 61.8 ttt180 -76.22 -33.54 59.23 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.349 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.0 m -58.51 -53.73 55.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 175.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -60.28 -34.39 73.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.249 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -58.23 -49.29 77.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.833 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -70.48 -39.85 73.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.944 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 11' ' ' SER . 86.1 t -65.19 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.696 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.566 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 39.5 t -70.11 -37.91 75.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.197 178.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -80.83 -8.82 59.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -63.0 -51.5 70.33 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -178.378 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.566 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 2.8 Cg_exo -78.01 -162.05 0.16 Allowed 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.303 2.002 . . . . 0.0 111.787 174.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.92 67.88 3.51 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.541 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -128.4 131.29 23.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 120.599 0.238 . . . . 0.0 110.415 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HG2' ' HB3' ' A' ' 25' ' ' LEU . 12.6 Cg_endo -57.95 134.91 65.43 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.09 2.526 . . . . 0.0 112.766 178.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.2 mp0 -57.67 -44.57 85.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.785 -178.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.19 82.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.275 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.456 ' HB3' ' HG2' ' A' ' 22' ' ' PRO . 34.6 tp -68.63 -43.22 76.78 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.455 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.55 -36.75 85.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.724 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.52 73.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.007 0.432 . . . . 0.0 110.521 177.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.8 m -61.09 -39.48 90.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.916 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -68.44 -28.19 66.84 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.722 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -97.9 -16.38 19.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.923 0.392 . . . . 0.0 111.724 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.75 17.94 62.63 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -175.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.537 ' SG ' HG22 ' A' ' 2' ' ' THR . 26.5 t -89.45 157.72 18.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.5 pt -120.48 145.55 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.063 0.459 . . . . 0.0 111.589 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.5 mt -114.41 97.86 6.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.175 174.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.0 pt -98.89 149.76 36.05 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.731 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.24 -10.45 29.0 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.012 2.475 . . . . 0.0 112.295 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.8 160.7 54.16 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.57 -2.58 32.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.898 0.38 . . . . 0.0 111.304 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.6 t -129.5 148.93 51.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.369 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.9 m -93.7 137.41 23.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.489 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.63 166.66 26.68 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.916 2.41 . . . . 0.0 112.322 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.26 -7.76 68.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.884 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.88 -45.47 94.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -163.7 124.72 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.667 169.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.26 93.39 3.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.332 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.732 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 8.1 t30 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.63 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 110.604 -0.146 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.732 HG23 HG12 ' A' ' 34' ' ' ILE . 6.2 m -98.64 112.08 24.24 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.51 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 64.0 m -137.17 123.29 20.39 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.223 0.535 . . . . 0.0 110.472 -173.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 m -103.14 153.53 38.29 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.39 -175.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.55 -73.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.465 2.777 . . . . 0.0 113.696 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -125.58 -176.91 3.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.74 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.764 HD12 ' H ' ' A' ' 7' ' ' ILE . 4.7 mp -57.32 -40.62 75.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.075 0.464 . . . . 0.0 110.834 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.17 -42.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.248 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.94 84.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.079 0.466 . . . . 0.0 110.503 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.4 -41.97 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.135 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.5 t -62.18 -43.66 98.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.375 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -57.95 -47.36 83.14 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.987 0.422 . . . . 0.0 110.665 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.94 -42.28 89.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.637 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -68.48 -47.73 66.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.664 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 11' ' ' SER . 91.3 t -65.85 -43.14 93.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.687 0.279 . . . . 0.0 111.173 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.91 -43.8 94.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.781 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 65.3 ttp85 -90.07 1.58 56.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.749 0.309 . . . . 0.0 111.342 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 23.8 tp -56.22 -50.88 84.96 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.872 -176.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 32.5 Cg_endo -66.3 -46.81 3.8 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.66 1.573 . . . . 0.0 112.266 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.1 65.02 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.654 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.664 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 5.3 m -112.8 139.56 22.98 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.29 127.68 9.28 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.221 2.614 . . . . 0.0 112.234 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.781 ' HG2' ' HD3' ' A' ' 17' ' ' ARG . 38.2 mt-10 -60.9 -41.4 96.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.955 -172.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -34.64 73.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.928 0.394 . . . . 0.0 111.198 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.34 -51.26 46.4 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.787 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.6 m -65.19 -36.69 84.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.35 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -56.94 12.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.518 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.1 m -57.44 -35.43 70.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -58.08 -38.49 76.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.144 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.6 t -104.66 0.59 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.895 0.379 . . . . 0.0 111.652 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.8 19.35 58.1 Favored Glycine 0 C--O 1.234 0.127 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.148 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.9 t -90.21 147.43 23.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 pt -117.16 137.38 51.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.347 0.594 . . . . 0.0 111.983 -174.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.732 HG12 HG23 ' A' ' 2' ' ' THR . 65.5 mt -109.27 100.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.048 172.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.5 pt -90.72 151.55 43.89 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.337 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -72.38 1.29 6.3 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.894 2.396 . . . . 0.0 112.402 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -106.22 174.65 20.69 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.79 -48.5 6.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.763 0.316 . . . . 0.0 111.347 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.1 m -90.91 125.89 35.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.871 -174.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.4 m -105.27 160.39 26.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.546 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.57 126.59 20.27 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.215 1.943 . . . . 0.0 111.067 172.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.35 -31.42 59.62 Favored Glycine 0 C--N 1.33 0.203 0 O-C-N 123.215 0.322 . . . . 0.0 113.425 -175.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.68 -25.97 66.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 0.0 111.46 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -118.23 20.34 13.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.408 0.623 . . . . 0.0 109.723 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -117.23 87.28 2.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.884 -176.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 . . . . . 0 C--N 1.316 -0.851 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.012 170.465 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -100.04 139.07 36.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.269 0.557 . . . . 0.0 110.369 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -127.24 105.32 8.47 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.735 -175.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.6 m -97.55 148.57 34.62 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -172.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.721 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 42.7 Cg_exo -43.18 -67.08 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 124.518 3.478 . . . . 0.0 114.612 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 t -120.64 165.83 14.51 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.259 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.733 HD13 ' HB3' ' A' ' 46' ' ' ASN . 26.4 mm -54.05 -42.27 54.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.979 0.419 . . . . 0.0 110.112 175.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.15 -38.05 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.774 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.13 82.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.609 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -74.61 -35.07 62.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 m -62.28 -45.86 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.606 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.02 -32.71 74.14 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.991 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -58.77 -31.79 68.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.173 0.511 . . . . 0.0 110.263 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -83.52 -44.73 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.779 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.41 -34.84 66.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.292 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.75 -31.29 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 0.0 111.083 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -90.41 2.88 55.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.824 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 34.5 tp -69.17 -49.18 25.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.371 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 92.7 Cg_endo -81.43 -163.29 0.22 Allowed 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.879 1.719 . . . . 0.0 111.33 169.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.88 73.25 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.916 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -132.5 130.47 21.81 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.93 149.58 89.64 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 123.257 2.638 . . . . 0.0 113.534 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.74 -53.59 56.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.459 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -36.19 75.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.199 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.44 -52.54 61.04 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.831 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.9 m -58.74 -42.33 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.746 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -54.32 47.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.113 0.482 . . . . 0.0 110.8 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -62.76 -37.28 85.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.113 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -68.13 -35.87 78.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.605 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p -84.52 -13.0 53.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.96 0.409 . . . . 0.0 111.465 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.75 18.04 52.57 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 41.4 t -92.71 141.02 28.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.41 137.08 43.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.002 0.43 . . . . 0.0 111.209 -175.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.8 mt -105.87 117.45 51.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.554 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 pt -119.14 134.51 23.67 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.037 0.446 . . . . 0.0 111.143 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -75.31 68.26 6.03 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.815 2.344 . . . . 0.0 110.91 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.92 -173.13 19.37 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.231 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.13 0.97 10.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.201 0.5 . . . . 0.0 111.196 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.4 m -141.28 125.0 16.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.415 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.4 m -81.91 159.1 66.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.075 -178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.9 147.04 92.17 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.475 2.117 . . . . 0.0 111.194 172.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -21.83 62.7 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.547 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.09 -39.73 75.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.963 0.411 . . . . 0.0 110.755 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.721 ' CD1' ' HA ' ' A' ' 5' ' ' PRO . 26.0 m-85 -126.51 84.8 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.49 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.36 87.42 2.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.034 0.445 . . . . 0.0 111.004 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.733 ' HB3' HD13 ' A' ' 7' ' ' ILE . 48.1 m-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.139 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 120.846 0.355 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.439 HG23 HG12 ' A' ' 34' ' ' ILE . 4.7 m -88.43 120.17 29.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.851 178.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -117.65 95.7 5.06 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.243 0.544 . . . . 0.0 110.496 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.4 m -97.64 156.04 36.53 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.886 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.543 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 31.5 Cg_exo -62.65 -134.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.199 2.599 . . . . 0.0 112.476 175.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -68.72 179.55 1.72 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.348 0.594 . . . . 0.0 111.552 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.48 -45.81 85.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.194 -173.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.76 -41.32 79.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.727 0.298 . . . . 0.0 110.947 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.08 94.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.857 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -59.94 -42.33 93.79 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.044 0.449 . . . . 0.0 110.467 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 15' ' ' VAL . 45.2 t -61.46 -53.15 60.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.428 178.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -59.88 -36.25 76.53 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.09 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.87 -47.37 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -68.82 -41.29 78.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.547 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 11' ' ' SER . 92.4 t -63.06 -38.3 81.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.993 0.425 . . . . 0.0 110.459 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.535 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.2 t -73.04 -29.36 62.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.52 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -80.39 -8.01 59.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.343 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.8 tt -75.98 -51.65 2.8 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.061 -178.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.563 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 16.8 Cg_exo -69.1 179.46 3.32 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.446 2.097 . . . . 0.0 112.495 177.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.57 73.54 2.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.61 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 t -136.1 146.25 55.7 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.78 135.39 69.29 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.037 2.491 . . . . 0.0 113.009 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -34.87 77.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.56 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.11 -37.23 74.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.105 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.8 tp -69.05 -47.81 64.43 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.38 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.3 m -64.31 -35.84 82.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.977 0.418 . . . . 0.0 110.775 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.27 69.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.355 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.3 m -60.6 -43.31 97.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -62.58 -36.6 83.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.668 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.1 p -89.19 -24.11 22.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.907 0.384 . . . . 0.0 111.826 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.78 18.81 39.33 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.9 t -92.84 143.02 26.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.399 . . . . 0.0 110.062 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.0 pt -123.38 148.09 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.465 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.439 HG12 HG23 ' A' ' 2' ' ' THR . 77.6 mt -116.67 105.79 18.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.038 0.447 . . . . 0.0 110.379 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 26.7 pt -92.95 141.51 24.25 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.626 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 13.2 Cg_exo -70.7 -29.84 18.82 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.838 2.359 . . . . 0.0 112.877 -177.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -142.01 158.75 26.86 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.811 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 37' ' ' GLY . . . 78.84 153.49 0.13 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.915 0.886 . . . . 0.0 110.833 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -83.72 172.93 11.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.831 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 61.4 m -83.86 153.12 63.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.456 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.67 149.16 92.08 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.546 2.164 . . . . 0.0 111.433 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.42 -31.81 75.42 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.981 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -94.84 9.37 39.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.833 0.349 . . . . 0.0 110.623 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -140.95 29.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.262 0.553 . . . . 0.0 109.725 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . . . -132.3 87.26 2.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.926 178.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.543 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 5.1 m-20 . . . . . 0 C--O 1.247 0.97 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.557 ' O ' HG12 ' A' ' 35' ' ' ILE . 13.2 m . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.047 0.451 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 m -93.33 136.04 33.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.6 m -139.58 122.93 17.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.849 0.357 . . . . 0.0 110.694 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 72.4 m -111.1 147.24 36.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -173.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HB2' ' H ' ' A' ' 6' ' ' SER . 52.3 Cg_exo -56.79 -74.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.305 2.67 . . . . 0.0 113.372 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 31.4 t -77.26 147.16 36.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.049 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.704 HD12 ' H ' ' A' ' 7' ' ' ILE . 4.5 mp -61.36 -37.01 76.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.67 -35.4 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.707 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.68 77.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.528 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 7' ' ' ILE . 17.8 tpp180 -58.64 -42.47 88.4 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.268 175.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.453 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.9 t -69.08 -48.13 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.47 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.08 -36.61 75.41 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.556 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.87 -45.28 92.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.978 0.418 . . . . 0.0 110.933 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -74.8 -18.48 60.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.297 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 11' ' ' SER . 92.7 t -79.18 -38.49 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.96 0.409 . . . . 0.0 110.093 174.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 51.1 t -69.99 -41.39 74.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.117 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -84.03 0.23 49.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.16 0.505 . . . . 0.0 110.777 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.548 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 40.3 tp -70.27 -50.17 16.0 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 -175.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 13.9 Cg_exo -71.61 0.26 7.23 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.342 2.028 . . . . 0.0 112.855 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.32 9.33 31.75 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -73.38 129.25 86.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -49.34 136.09 31.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.34 2.693 . . . . 0.0 113.462 -176.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -65.99 -40.03 90.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.674 -176.775 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.92 78.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.091 0.472 . . . . 0.0 110.906 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.27 -45.8 62.33 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.21 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.5 m -64.55 -37.34 87.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.248 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.63 89.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.065 0.459 . . . . 0.0 110.334 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.1 m -69.69 -33.21 72.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.78 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -74.84 -43.33 55.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.042 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -98.0 -1.31 42.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.918 0.389 . . . . 0.0 111.61 -169.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.12 68.17 1.52 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.256 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.1 t -148.47 158.62 44.23 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.6 pt -120.84 143.16 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.08 0.466 . . . . 0.0 111.79 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.8 mt -117.12 121.49 67.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.376 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 1' ' ' THR . 30.4 pt -74.14 150.96 88.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.949 0.404 . . . . 0.0 111.83 -175.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 2.2 Cg_endo -81.87 -3.28 11.7 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 123.18 2.587 . . . . 0.0 112.295 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.2 173.88 32.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.269 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 68.42 -101.52 0.05 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 124.426 1.09 . . . . 0.0 111.411 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -173.35 163.53 4.53 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.603 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 79.0 m -81.35 145.34 55.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.645 0.26 . . . . 0.0 110.437 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 14.1 Cg_exo -70.75 157.31 58.82 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.734 2.29 . . . . 0.0 111.462 174.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.16 -20.94 63.42 Favored Glycine 0 C--O 1.235 0.187 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.338 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.37 -30.88 70.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 110.914 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.65 78.78 1.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.094 0.474 . . . . 0.0 110.543 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.27 105.19 7.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.103 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.588 ' HB3' ' O ' ' A' ' 4' ' ' CYS . 2.2 t-20 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.118 -175.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 13.8 t -120.87 137.41 54.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.526 0.679 . . . . 0.0 111.599 -178.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.8 m -130.03 139.84 50.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.468 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.0 m -116.51 173.31 3.14 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.577 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.05 -152.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.489 2.126 . . . . 0.0 110.54 165.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -45.36 149.71 0.51 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 122.668 0.387 . . . . 0.0 111.71 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm -49.51 -33.66 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.104 0.562 . . . . 0.0 112.502 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -55.14 -30.54 24.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 121.212 0.529 . . . . 0.0 111.464 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.71 70.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.029 -0.419 . . . . 0.0 110.909 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -70.21 -38.66 75.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.726 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.6 p -63.25 -41.26 99.05 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.495 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -62.14 -40.37 95.73 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.291 174.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.728 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 82.1 t80 -60.41 -39.08 86.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.311 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -68.93 -41.5 78.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.533 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 11' ' ' SER . 88.2 t -61.64 -39.39 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.348 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.813 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -52.38 -47.8 65.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.006 0.431 . . . . 0.0 111.545 175.107 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -88.55 5.04 44.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.794 -172.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.651 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 9.3 tt -72.39 -51.98 7.17 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.74 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.2 Cg_exo -76.16 -36.08 2.06 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.83 1.687 . . . . 0.0 111.617 176.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.62 81.57 0.22 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.189 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.813 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 2.2 m -135.09 138.51 29.46 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.628 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 88.7 Cg_exo -49.04 131.02 25.07 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 123.328 2.685 . . . . 0.0 113.977 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.728 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 34.6 tt0 -55.19 -55.4 31.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.086 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.09 79.24 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.577 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.628 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.5 tt -56.93 -59.32 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.177 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.7 m -69.15 -36.61 77.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.974 -175.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.93 67.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.287 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.7 m -65.96 -32.55 74.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.139 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -72.68 -39.36 67.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.449 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -90.83 -22.08 21.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 -171.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.05 22.84 6.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.705 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 69.2 m -96.11 137.97 34.41 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 2' ' ' THR . 34.1 pt -99.19 138.85 22.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.509 -178.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -112.72 104.4 16.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.224 0.535 . . . . 0.0 110.169 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.1 pt -107.06 149.03 38.11 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.464 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -52.03 -35.67 62.28 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.368 2.712 . . . . 0.0 113.317 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.92 125.85 0.86 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.89 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 170.54 150.89 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 t -78.0 133.54 37.97 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.4 m -82.09 143.06 48.59 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.312 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.69 147.42 95.38 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.59 2.194 . . . . 0.0 110.978 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.58 -28.01 43.91 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.572 -0.347 . . . . 0.0 112.924 -176.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -55.3 -39.25 69.68 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.887 0.475 . . . . 0.0 111.718 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -127.94 15.5 6.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.027 0.442 . . . . 0.0 110.871 -175.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.91 85.87 7.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.174 0.511 . . . . 0.0 109.99 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.967 179.816 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.0 0.429 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 m -114.07 113.34 24.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 57.0 m -120.2 130.71 54.67 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.644 -172.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.419 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 85.0 m -101.91 172.45 4.38 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.981 -174.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 4' ' ' CYS . 36.9 Cg_exo -61.63 -165.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.662 2.241 . . . . 0.0 111.438 169.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -56.01 164.56 1.18 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.156 0.503 . . . . 0.0 111.532 -175.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.4 mt -44.07 -45.38 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 114.855 -1.066 . . . . 0.0 113.253 -169.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -51.49 -52.71 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.45 71.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.257 0.551 . . . . 0.0 110.54 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 3.4 tmt_? -66.22 -35.26 79.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.951 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 36.7 m -65.91 -44.98 83.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.448 175.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -62.86 -31.66 72.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.9 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -58.16 -49.98 75.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.497 173.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -64.52 -38.48 91.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.066 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' SER . 73.6 t -66.23 -32.33 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.732 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.538 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.5 t -64.82 -38.99 92.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.362 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 21' ' ' THR . 74.4 ttt180 -86.16 -3.17 58.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.088 0.47 . . . . 0.0 110.912 -177.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 5.7 tt -63.34 -50.05 76.15 Favored Pre-proline 0 CA--C 1.541 0.604 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.79 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 7.3 Cg_exo -74.85 15.31 0.72 Allowed 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.294 1.996 . . . . 0.0 112.796 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.32 39.98 11.88 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.882 176.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.462 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 58.5 m -99.27 132.98 22.42 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.568 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 81.7 Cg_exo -45.38 140.39 8.4 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.723 2.948 . . . . 0.0 114.038 -176.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -47.47 85.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.909 -176.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.36 94.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.073 0.463 . . . . 0.0 110.925 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.5 tt -58.11 -55.19 38.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.896 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.8 m -62.99 -38.28 90.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.352 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.87 80.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 110.822 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.0 m -68.94 -31.32 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -72.3 -34.99 68.55 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.226 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 p -88.3 -36.37 16.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.879 0.371 . . . . 0.0 111.397 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.64 30.77 2.3 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.395 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.6 m -85.9 147.2 26.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.0 pt -107.99 138.35 34.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.098 0.475 . . . . 0.0 111.205 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.2 mp -97.25 137.25 25.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.701 176.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 42.9 pt -122.81 133.44 24.46 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-O 120.771 0.32 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 6.5 Cg_exo -75.55 -13.05 20.43 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.824 2.349 . . . . 0.0 111.746 174.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.56 -159.42 31.01 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' HB ' ' A' ' 39' ' ' THR . . . 73.44 -16.01 0.52 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.748 0.819 . . . . 0.0 112.735 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 55.2 m 67.94 145.68 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.454 0.645 . . . . 0.0 112.358 177.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 65.7 m -81.57 140.27 47.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.446 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 21.3 Cg_exo -66.42 164.86 26.87 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.79 2.327 . . . . 0.0 111.524 175.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.04 -33.1 82.76 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.716 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.3 -46.52 83.1 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.284 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.439 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 51.5 m-85 -105.1 22.01 16.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.356 -177.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.8 85.44 6.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.315 0.579 . . . . 0.0 109.47 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.466 ' HB3' ' HG3' ' A' ' 10' ' ' ARG . 33.9 m-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.671 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.618 HG23 ' HA ' ' A' ' 38' ' ' ALA . 9.7 p . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 t -94.72 107.68 19.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.714 0.768 . . . . 0.0 109.031 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.4 m -131.2 129.3 41.49 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.437 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.5 m -108.8 160.0 28.92 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.431 -173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -53.41 -64.87 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.022 2.481 . . . . 0.0 112.268 173.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -121.15 159.85 24.97 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.168 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.5 mm -57.92 -31.74 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.772 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.0 t -53.51 -42.65 50.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.743 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.26 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.804 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -66.47 -45.31 80.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.616 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 15' ' ' VAL . 48.0 m -64.99 -36.62 84.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.772 0.32 . . . . 0.0 110.25 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -60.37 -44.73 95.32 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -58.11 -43.21 87.05 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.822 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -62.62 -49.08 76.63 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.102 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 11' ' ' SER . 74.9 t -64.17 -37.42 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.079 0.466 . . . . 0.0 110.582 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.2 t -61.86 -45.27 94.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 23' ' ' GLU . 69.5 mtp180 -87.32 8.6 23.63 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.1 tp -58.88 -47.84 97.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.55 -178.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 83.5 Cg_endo -82.54 11.42 3.21 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.15 1.9 . . . . 0.0 113.001 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.97 7.74 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.962 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -76.61 137.41 67.08 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -45.44 136.44 11.74 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.274 2.649 . . . . 0.0 112.984 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 17' ' ' ARG . 1.5 pm0 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.461 -177.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.62 94.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.431 . . . . 0.0 110.591 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.64 -57.43 12.73 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.275 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.2 m -67.24 -35.49 79.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.679 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.42 99.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.557 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -71.2 -39.74 71.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.617 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.82 -35.35 80.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.5 p -87.67 -51.6 5.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.972 0.415 . . . . 0.0 111.71 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.02 21.84 3.38 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -173.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.98 138.9 32.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.1 pt -101.47 140.48 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.624 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.5 mt -111.34 100.67 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.134 0.492 . . . . 0.0 109.787 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 1' ' ' THR . 25.5 pt -109.6 151.94 42.52 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.935 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.99 -29.26 66.48 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.953 2.436 . . . . 0.0 112.661 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.26 142.88 23.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.11 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.618 ' HA ' HG23 ' A' ' 1' ' ' THR . . . -87.24 -15.72 37.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.024 0.44 . . . . 0.0 110.386 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 t -78.66 110.2 13.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.693 0.759 . . . . 0.0 111.587 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.6 m -122.14 122.8 27.45 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 171.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.28 152.21 77.82 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.481 2.121 . . . . 0.0 111.002 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.8 -22.46 33.75 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.257 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.9 -35.74 69.34 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 123.219 0.608 . . . . 0.0 111.714 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -135.13 17.47 3.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.208 0.528 . . . . 0.0 110.813 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.93 85.82 5.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.042 0.448 . . . . 0.0 110.402 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 . . . . . 0 C--N 1.316 -0.887 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.158 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.3 m -115.37 126.15 54.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.758 0.313 . . . . 0.0 110.872 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.0 m -143.01 144.63 32.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.843 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 m -128.29 146.41 59.52 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.66 -171.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.488 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 7.9 Cg_exo -72.17 162.59 41.24 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.519 2.146 . . . . 0.0 110.73 172.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t 57.16 121.27 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.723 0.773 . . . . 0.0 112.787 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -58.62 -33.55 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.865 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.48 -43.73 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.447 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.563 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . . . -68.05 -44.77 75.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -64.29 -29.32 70.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 110.293 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 t -68.42 -55.6 11.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.474 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.563 ' ND2' ' HA ' ' A' ' 9' ' ' ALA . 9.4 p30 -70.03 -23.42 63.11 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.903 -177.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -55.1 -44.37 74.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.067 0.46 . . . . 0.0 110.232 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -72.44 -33.38 67.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.0 t -68.87 -28.01 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.205 0.526 . . . . 0.0 110.31 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.6 t -64.28 -35.23 80.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.554 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -87.2 -1.96 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -67.33 -52.12 30.51 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.743 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 22.9 Cg_exo -66.18 -24.4 51.55 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.047 1.832 . . . . 0.0 111.631 175.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.11 28.71 1.78 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.067 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -86.09 128.25 58.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.48 143.24 36.26 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.344 2.696 . . . . 0.0 113.242 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -37.47 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.452 -176.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.59 -53.66 53.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.791 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.24 -43.68 90.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.226 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -61.49 -37.02 82.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.687 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.571 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . . . -64.43 -48.98 73.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.988 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m -61.77 -33.26 73.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.031 0.443 . . . . 0.0 111.333 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -77.89 -27.8 49.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.383 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.8 p -99.35 -24.84 14.68 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.77 14.59 36.71 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -175.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.571 ' HB3' ' HA ' ' A' ' 27' ' ' ALA . 49.7 t -76.44 152.26 36.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.182 -0.509 . . . . 0.0 110.259 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.9 pt -116.77 138.92 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.388 0.613 . . . . 0.0 111.677 -176.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.8 mt -109.5 104.87 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.467 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 pt -109.56 142.37 25.57 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.3 -175.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.7 -11.83 22.1 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.696 2.264 . . . . 0.0 112.079 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.77 149.17 49.37 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.06 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.24 66.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.724 0.297 . . . . 0.0 111.358 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 m -119.05 140.28 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.415 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.8 m -82.05 144.63 51.42 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.446 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -58.86 142.05 98.65 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.492 2.128 . . . . 0.0 111.944 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.4 -25.29 40.85 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.963 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.18 -34.91 64.25 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.746 0.308 . . . . 0.0 111.409 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -116.01 26.04 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.142 0.496 . . . . 0.0 110.892 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.8 86.82 6.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.039 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.676 0.274 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.421 ' HA ' HD13 ' A' ' 34' ' ' ILE . 7.3 m -86.79 127.62 35.01 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.212 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -126.45 108.84 11.56 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.5 m -110.24 145.21 31.68 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.746 -0.207 . . . . 0.0 110.914 -174.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.616 ' HA ' ' HD1' ' A' ' 44' ' ' TYR . 82.5 Cg_exo -50.98 -69.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.502 2.801 . . . . 0.0 113.33 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -118.48 170.96 8.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.561 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.39 -33.11 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.66 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.0 -39.37 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.51 90.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.771 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 39.7 ttm-85 -66.24 -35.98 81.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.766 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 15' ' ' VAL . 24.1 t -59.82 -49.89 75.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.138 178.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -70.0 -31.22 68.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 10' ' ' ARG . 64.5 t80 -55.18 -46.45 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.233 173.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -67.54 -35.52 79.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.076 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 11' ' ' SER . 83.9 t -62.42 -43.88 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.481 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.587 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 33.8 t -67.63 -37.8 82.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.883 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.769 ' HE ' ' HG2' ' A' ' 23' ' ' GLU . 43.0 ttt-85 -83.54 2.17 38.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.866 -175.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 49.0 tp -77.28 -51.05 2.06 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.027 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 16.5 Cg_exo -69.37 -10.97 30.27 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.03 1.82 . . . . 0.0 112.756 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.84 35.73 2.33 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.783 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.678 ' HB ' ' SG ' ' A' ' 26' ' ' CYS . 1.9 m -90.94 134.79 29.6 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.749 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 76.3 Cg_exo -42.14 136.29 3.77 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.546 2.831 . . . . 0.0 113.697 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.769 ' HG2' ' HE ' ' A' ' 17' ' ' ARG . 29.6 mt-10 -56.77 -54.07 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.04 -175.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -32.71 74.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.275 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.749 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -63.18 -54.89 30.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.298 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.678 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 87.6 m -58.58 -32.44 68.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.16 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.03 -60.58 3.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.385 . . . . 0.0 110.585 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -65.75 -33.66 76.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.194 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.53 -36.6 81.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.232 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 m -100.69 -38.52 8.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.601 -172.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.51 63.09 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.782 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.9 t -152.66 149.59 28.58 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.1 pt -110.93 138.41 39.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.313 0.577 . . . . 0.0 111.884 -174.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 2' ' ' THR . 46.0 mm -102.19 139.45 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.097 175.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 46.7 pt -135.0 148.0 65.07 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.378 177.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 4.6 Cg_exo -78.23 10.96 2.51 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.009 2.472 . . . . 0.0 112.107 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.29 158.83 17.32 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.24 -45.18 23.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.741 0.305 . . . . 0.0 111.427 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.4 m -92.07 126.15 37.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.644 -174.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.7 m -87.84 142.21 32.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.276 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.69 141.8 98.0 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.302 2.001 . . . . 0.0 111.134 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.51 -23.08 60.02 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.963 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.4 -33.43 75.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.945 0.402 . . . . 0.0 110.481 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.616 ' HD1' ' HA ' ' A' ' 5' ' ' PRO . 53.2 m-85 -131.02 42.78 3.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.328 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.48 85.48 2.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.198 0.523 . . . . 0.0 110.458 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.244 0.785 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.075 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.451 HG22 ' SG ' ' A' ' 3' ' ' CYS . 2.8 m . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.625 HG23 HG12 ' A' ' 34' ' ' ILE . 2.5 m -113.69 115.91 28.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.932 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.785 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 24.7 m -133.84 128.59 35.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.363 -171.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.0 m -107.66 154.68 40.72 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.432 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.05 -68.99 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.246 2.63 . . . . 0.0 112.48 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -118.8 168.42 10.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.385 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.89 -27.71 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.962 0.411 . . . . 0.0 110.29 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.48 -35.91 66.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.227 0.537 . . . . 0.0 109.783 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -36.64 76.4 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.409 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttm-85 -63.59 -41.03 98.37 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.5 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 15' ' ' VAL . 49.4 m -61.04 -50.71 72.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.047 0.451 . . . . 0.0 110.233 175.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.08 -36.16 72.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.648 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 85.1 t80 -59.33 -54.32 48.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.766 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -73.09 -27.41 61.7 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.091 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 11' ' ' SER . 73.2 t -66.6 -37.13 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.555 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 37.9 t -67.38 -36.94 82.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -80.75 -13.54 58.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.937 -176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 55.1 tp -61.02 -49.71 87.78 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.555 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 24.0 Cg_exo -66.52 -0.42 4.37 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.402 2.068 . . . . 0.0 113.555 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.33 19.05 17.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.348 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -80.6 138.05 51.15 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.577 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 53.8 Cg_exo -52.02 146.7 28.82 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.172 2.581 . . . . 0.0 113.568 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.566 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 38.8 tt0 -63.84 -49.67 71.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.03 -178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -34.85 78.34 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.099 0.476 . . . . 0.0 110.843 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.8 tt -62.51 -54.83 34.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.881 177.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -66.34 -29.69 69.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.571 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.2 -51.18 71.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 0.0 110.013 175.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -70.29 -32.8 70.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.614 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.17 -32.64 74.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.976 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.7 m -102.26 -39.59 7.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.512 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.49 12.6 6.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.122 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.7 m -85.4 143.0 28.87 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 pt -105.71 137.43 35.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.057 0.456 . . . . 0.0 110.844 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.625 HG12 HG23 ' A' ' 2' ' ' THR . 71.0 mt -118.88 98.03 5.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.46 176.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.5 pt -111.65 137.03 21.09 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.929 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -88.96 1.05 6.17 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.699 2.266 . . . . 0.0 112.462 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.67 117.43 5.71 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.986 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 49.56 -94.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 124.409 1.083 . . . . 0.0 112.977 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -163.94 175.96 9.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.784 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 18.6 m -97.75 158.15 33.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.47 140.12 82.59 Favored 'Trans proline' 0 C--O 1.239 0.544 0 C-N-CA 122.383 2.055 . . . . 0.0 111.363 173.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.76 62.45 2.81 Favored Glycine 0 N--CA 1.454 -0.146 0 CA-C-N 116.325 -0.398 . . . . 0.0 113.117 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -171.03 -33.11 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -99.41 6.24 46.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.558 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.785 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -102.7 86.44 2.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.091 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 . . . . . 0 C--O 1.243 0.74 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.612 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.857 0.36 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.2 m -91.78 130.39 37.57 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.24 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.3 m -134.25 148.13 50.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.173 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.8 t -155.32 143.46 14.38 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -172.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 2.7 Cg_exo -77.65 160.0 31.59 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.498 2.132 . . . . 0.0 111.094 170.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t 59.5 124.72 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.846 0.831 . . . . 0.0 112.641 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.58 HD13 ' HB3' ' A' ' 46' ' ' ASN . 45.5 mm -60.52 -33.75 55.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.205 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.14 -35.75 75.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.986 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.98 90.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.881 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttm-85 -66.82 -33.53 75.82 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 110.101 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.448 ' O ' HG23 ' A' ' 15' ' ' VAL . 45.8 m -65.07 -45.85 83.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.101 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.49 -38.54 81.14 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.446 ' HZ ' ' HB2' ' A' ' 23' ' ' GLU . 51.3 t80 -56.54 -47.36 79.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.983 175.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -66.58 -40.69 89.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.372 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 11' ' ' SER . 99.7 t -62.66 -37.87 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.893 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 38.6 t -66.54 -38.88 88.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.213 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 21' ' ' THR . 75.1 ttt180 -80.24 -22.63 41.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.754 -175.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.532 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.8 tp -51.45 -51.29 70.55 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.7 Cg_exo -74.41 12.21 1.12 Allowed 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.531 2.154 . . . . 0.0 113.707 -175.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.02 57.03 1.17 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.204 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.561 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 3.2 m -128.5 131.88 24.03 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.77 136.92 73.48 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.971 2.448 . . . . 0.0 112.272 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' HB2' ' HZ ' ' A' ' 13' ' ' PHE . 12.9 pt-20 -61.72 -38.01 86.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.927 -174.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.21 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.72 -50.81 69.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.2 m -66.47 -37.45 85.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.792 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.57 89.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.989 0.423 . . . . 0.0 110.523 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -68.1 -25.7 65.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.188 0.518 . . . . 0.0 110.523 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -78.13 -35.34 49.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.971 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.2 p -87.46 -16.05 35.9 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.21 22.06 16.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.081 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.9 m -94.34 162.74 13.71 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 pt -117.54 143.63 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.979 0.419 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 82.6 mt -118.37 118.4 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 pt -113.4 145.5 33.41 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -64.5 -19.55 65.21 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.912 2.408 . . . . 0.0 111.598 175.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.8 154.96 45.64 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.959 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.58 -29.32 41.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.9 m -139.47 135.53 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.879 0.371 . . . . 0.0 111.215 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.1 m -94.72 164.96 18.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.818 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.47 125.79 19.44 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 121.83 1.686 . . . . 0.0 110.361 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.73 -18.68 62.02 Favored Glycine 0 N--CA 1.455 -0.06 0 C-N-CA 121.363 -0.446 . . . . 0.0 113.061 -173.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.94 -32.15 71.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 110.178 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -102.83 -4.56 24.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.006 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.23 101.64 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.053 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.58 ' HB3' HD13 ' A' ' 7' ' ' ILE . 13.3 m120 . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.438 -0.792 . . . . 0.0 109.722 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.609 0.242 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 m -103.44 131.94 50.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.694 0.283 . . . . 0.0 110.547 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' HB3' ' HD1' ' A' ' 44' ' ' TYR . 40.5 m -124.79 105.78 9.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.027 0.441 . . . . 0.0 110.233 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 78.3 m -106.48 142.05 24.09 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 -177.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -43.73 -66.15 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.378 2.719 . . . . 0.0 112.795 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -120.18 160.62 22.55 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.762 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.03 -31.2 36.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.972 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.9 t -53.36 -37.07 28.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.405 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -67.75 -40.12 84.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.849 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -68.99 -40.69 78.62 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 110.444 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -58.85 -43.31 90.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.412 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -73.93 -31.49 63.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -57.03 -49.76 74.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.746 0.308 . . . . 0.0 110.973 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -63.9 -40.98 97.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.8 t -62.65 -42.33 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.956 0.408 . . . . 0.0 110.583 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.544 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 41.6 t -64.05 -32.68 74.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.366 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.605 ' HD2' ' HG3' ' A' ' 23' ' ' GLU . 18.4 ttp180 -87.61 3.62 46.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 111.119 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.602 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 5.4 tt -74.87 -49.48 4.42 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.4 Cg_exo -75.46 -169.52 0.67 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.028 1.818 . . . . 0.0 111.303 171.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.36 71.21 2.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.696 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.72 127.45 22.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.7 152.65 77.03 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.962 2.442 . . . . 0.0 113.028 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.605 ' HG3' ' HD2' ' A' ' 17' ' ' ARG . 7.0 mp0 -62.44 -49.53 75.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.636 -177.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.22 -32.52 70.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.109 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.41 -54.47 16.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.2 m -60.92 -36.87 80.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.728 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -57.49 12.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.6 m -65.43 -32.71 74.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.855 0.359 . . . . 0.0 111.0 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -64.07 -34.53 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p -92.26 -12.23 33.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.119 0.485 . . . . 0.0 111.006 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.98 14.11 65.27 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.737 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.0 t -92.5 157.63 16.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 pt -125.9 137.74 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.233 0.539 . . . . 0.0 111.273 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.3 mt -104.79 112.74 39.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.854 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.45 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 41.8 pt -97.1 143.27 25.83 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.833 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 14.5 Cg_exo -69.56 -16.05 38.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 123.101 2.534 . . . . 0.0 111.921 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.65 140.8 26.6 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.035 -0.603 . . . . 0.0 111.851 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.39 -7.93 58.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.657 0.265 . . . . 0.0 111.553 -176.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -114.03 106.21 14.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.843 0.354 . . . . 0.0 111.106 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 46.5 t -93.41 131.09 33.43 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 37.5 Cg_exo -57.78 128.23 28.29 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.62 2.213 . . . . 0.0 111.639 178.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.47 52.42 Favored Glycine 0 C--N 1.329 0.16 0 O-C-N 123.365 0.416 . . . . 0.0 113.195 -175.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.07 -42.97 96.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.987 0.423 . . . . 0.0 111.469 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.407 ' HD1' ' HB3' ' A' ' 3' ' ' CYS . 2.7 t80 -97.45 -5.2 36.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.144 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.36 87.0 5.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.241 0.543 . . . . 0.0 110.498 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 36.8 m-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.396 -0.812 . . . . 0.0 109.545 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.431 ' HA ' ' OE1' ' A' ' 23' ' ' GLU . 26.6 m . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -81.41 140.96 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.311 0.577 . . . . 0.0 111.571 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.3 m -116.27 134.32 55.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.468 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 71.8 m -109.77 147.02 35.29 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.054 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -48.03 -72.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.653 2.902 . . . . 0.0 113.065 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -118.82 169.29 9.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.218 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -57.54 -29.86 35.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.015 0.436 . . . . 0.0 110.643 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -52.47 -48.35 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.654 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -64.03 -40.69 96.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.948 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -63.93 -41.0 97.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.023 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.8 p -62.91 -32.62 73.94 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.769 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.51 -39.95 67.22 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -60.33 -41.11 92.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.788 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -56.09 -43.58 78.19 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.395 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.44 -41.13 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.745 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.1 t -61.03 -37.43 82.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.508 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 21' ' ' THR . 10.2 ttp180 -88.98 8.88 27.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.046 0.45 . . . . 0.0 111.436 -175.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.554 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.4 tm? -58.68 -49.96 90.63 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.202 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 13.5 Cg_exo -71.42 -2.58 11.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 122.311 2.008 . . . . 0.0 113.291 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.67 26.65 12.76 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.257 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 5.4 m -72.1 129.93 87.15 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -51.01 144.06 29.16 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.838 2.359 . . . . 0.0 112.17 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' A' ' 1' ' ' THR . 13.5 pt-20 -62.95 -35.21 79.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.758 -172.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.91 94.17 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.939 0.4 . . . . 0.0 110.981 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.47 -49.9 74.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.076 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.4 m -69.2 -31.7 70.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.763 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.87 -49.51 73.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.798 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.4 m -67.08 -25.26 66.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.073 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.54 -13.54 48.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.165 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m -114.42 -27.85 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.667 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.75 19.21 9.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.162 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.6 m -91.88 158.19 16.44 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.4 pt -98.23 154.87 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 110.653 -177.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -115.46 110.87 33.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.166 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 pt -114.12 147.2 37.33 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.155 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.92 25.5 0.63 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.937 2.424 . . . . 0.0 112.075 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.71 157.46 16.18 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.834 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.14 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 t -123.51 164.2 19.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.989 0.423 . . . . 0.0 111.345 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.8 m -101.07 148.66 35.41 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.322 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.45 146.26 91.07 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.267 2.645 . . . . 0.0 112.719 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.0 61.83 2.13 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.798 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -170.2 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.57 0.7 . . . . 0.0 109.116 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -116.69 14.0 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.539 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.11 87.6 6.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.257 177.4 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.781 HG23 HG12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -79.31 118.53 21.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.313 0.245 . . . . 0.0 110.59 177.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.3 m -106.68 103.5 12.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.4 m -105.45 162.86 18.43 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.713 -0.222 . . . . 0.0 110.877 -175.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -70.48 -149.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.158 2.572 . . . . 0.0 111.663 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -41.7 143.35 0.52 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.752 0.421 . . . . 0.0 111.847 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.1 mm -49.22 -38.72 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.448 -172.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.1 t -61.3 -34.28 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.975 0.416 . . . . 0.0 111.175 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.03 94.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.349 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 52.1 ttm-85 -64.85 -37.1 86.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.06 0.457 . . . . 0.0 110.428 177.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 15' ' ' VAL . 17.8 m -61.3 -46.2 91.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.415 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.27 -37.6 88.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.215 0.531 . . . . 0.0 110.141 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.701 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 65.2 t80 -58.18 -43.97 87.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.95 176.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.88 -36.17 77.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.886 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 11' ' ' SER . 82.5 t -60.99 -40.51 85.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.371 . . . . 0.0 110.275 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.529 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 35.8 t -62.51 -38.75 91.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.126 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -79.82 -15.17 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.76 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.4 tm? -56.45 -52.29 74.41 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-O 119.44 -0.314 . . . . 0.0 111.605 -176.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 15.7 Cg_exo -70.23 7.63 1.08 Allowed 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.34 2.027 . . . . 0.0 113.426 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.1 36.72 6.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.233 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -94.47 133.04 27.61 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 72.5 Cg_exo -49.44 142.4 23.14 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.097 2.531 . . . . 0.0 113.11 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.701 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 48.8 tt0 -60.92 -46.47 90.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.841 -177.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -36.33 80.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.946 0.403 . . . . 0.0 111.068 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -64.19 -51.73 62.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.069 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.8 m -67.89 -29.52 68.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.522 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.64 80.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.249 0.547 . . . . 0.0 110.102 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 m -80.73 -39.67 26.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.613 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -64.98 -41.38 95.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.658 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 m -102.72 -42.85 5.75 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.266 -172.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.29 89.97 0.93 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.279 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' SG ' HG22 ' A' ' 2' ' ' THR . 43.4 t -167.5 155.71 9.31 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 pt -115.41 145.99 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.332 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.781 HG12 HG23 ' A' ' 2' ' ' THR . 50.2 mt -121.68 117.9 54.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.988 -175.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 pt -97.52 121.1 59.26 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 169.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.8 -11.35 28.86 Favored 'Trans proline' 0 N--CA 1.474 0.365 0 C-N-CA 123.09 2.526 . . . . 0.0 113.294 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.77 159.05 27.93 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 75.87 146.31 0.09 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.17 162.53 25.7 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.1 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 57.7 m -80.44 140.8 52.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 31.6 Cg_exo -59.33 141.65 98.0 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.199 . . . . 0.0 111.426 175.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.23 -28.72 50.7 Favored Glycine 0 C--N 1.331 0.298 0 O-C-N 123.314 0.384 . . . . 0.0 113.032 -176.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.72 -44.48 90.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.0 111.532 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -116.42 21.3 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.331 0.586 . . . . 0.0 110.154 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.34 86.84 7.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.285 0.564 . . . . 0.0 110.216 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.43 178.438 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.48 0.181 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.651 HG23 HG12 ' A' ' 34' ' ' ILE . 4.7 m -79.41 111.52 15.75 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 172.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.6 m -137.04 105.47 5.77 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.36 0.6 . . . . 0.0 110.881 -172.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.443 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 20.1 m -107.04 162.53 19.4 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.615 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.87 -153.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.653 2.235 . . . . 0.0 111.909 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.482 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 13.2 t -41.94 142.71 0.65 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.325 0.25 . . . . 0.0 111.547 -178.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.7 mt -41.51 -42.45 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.009 0.924 . . . . 0.0 112.591 -171.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -53.76 -36.74 30.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.718 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.01 84.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.746 0.308 . . . . 0.0 110.92 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 13.6 ttp85 -67.35 -34.91 78.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.068 0.461 . . . . 0.0 110.251 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 15' ' ' VAL . 17.7 m -64.37 -44.67 90.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.322 175.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -60.27 -36.97 79.04 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -58.15 -44.69 88.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.112 0.482 . . . . 0.0 110.371 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' HA ' ' HB3' ' A' ' 17' ' ' ARG . 34.6 m-80 -73.41 -18.69 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.736 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 11' ' ' SER . 96.3 t -67.43 -38.13 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.049 0.452 . . . . 0.0 109.881 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.778 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 30.7 t -78.72 -26.65 44.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.674 0.75 . . . . 0.0 110.169 176.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 22.0 tpt180 -76.98 -7.17 55.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.287 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.639 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 43.6 tp -77.47 -52.99 1.65 Allowed Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.886 -177.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.639 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 12.6 Cg_exo -70.97 -36.44 7.6 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.924 1.749 . . . . 0.0 112.053 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.58 39.43 0.62 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.735 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.778 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 26.0 m -92.16 142.52 26.32 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.603 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 78.1 Cg_exo -35.38 123.23 0.23 Allowed 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.68 2.92 . . . . 0.0 113.67 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.02 -45.34 85.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.126 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.37 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.975 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.2 tt -58.23 -59.09 5.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.212 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 29' ' ' TYR . 67.4 m -75.07 -19.12 60.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.268 -175.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.09 -45.92 75.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.218 0.532 . . . . 0.0 109.687 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -69.24 -31.07 69.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.105 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.414 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 81.4 t80 -70.89 -28.24 64.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.555 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -96.05 -3.16 45.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.752 0.31 . . . . 0.0 111.456 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.49 26.17 61.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.409 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.4 t -98.69 158.45 15.61 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.5 pt -122.93 137.18 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.235 0.54 . . . . 0.0 110.792 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.651 HG12 HG23 ' A' ' 2' ' ' THR . 73.7 mt -117.48 97.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.0 pt -107.09 154.31 40.47 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.757 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -77.1 -7.7 17.33 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.508 2.139 . . . . 0.0 112.274 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.1 -179.12 24.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.452 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.13 -7.56 19.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.684 -0.304 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 m -72.72 81.65 1.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.241 0.543 . . . . 0.0 111.025 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 77.2 m -109.01 132.12 21.38 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.065 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.95 151.11 80.28 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.719 2.279 . . . . 0.0 111.546 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.7 -26.8 63.06 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 121.308 -0.472 . . . . 0.0 112.36 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.95 -22.13 65.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.192 0.52 . . . . 0.0 110.396 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -108.14 24.43 13.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.623 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.62 100.23 7.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.741 0.305 . . . . 0.0 111.059 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.482 ' OD1' ' HA ' ' A' ' 6' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.217 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.755 ' HB ' HG23 ' A' ' 35' ' ' ILE . 7.3 m . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.3 m -129.67 136.61 49.93 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 122.326 -0.233 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m -124.53 122.69 38.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.008 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.519 ' SG ' ' HB1' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -127.79 147.7 63.95 Favored Pre-proline 0 C--N 1.317 -0.827 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.318 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -69.44 148.49 67.24 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.695 1.597 . . . . 0.0 112.895 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t 45.38 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.427 -1.261 . . . . 0.0 111.513 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.606 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 47.6 mt -91.06 -23.04 6.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 t -55.91 -45.76 80.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.484 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.519 ' HB1' ' SG ' ' A' ' 4' ' ' CYS . . . -65.91 -40.31 91.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.375 -175.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 17.8 ttm180 -66.97 -39.86 87.33 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' HG23 ' A' ' 15' ' ' VAL . 37.5 t -56.88 -50.77 71.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.978 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -67.73 -32.84 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -60.22 -51.66 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.588 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.79 -41.78 99.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.937 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.519 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 77.4 t -61.62 -42.82 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.215 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.57 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 36.9 t -63.49 -40.31 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.429 . . . . 0.0 111.25 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -75.54 -20.54 58.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 54.5 tp -58.89 -51.5 81.41 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 -175.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.57 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 23.3 Cg_exo -65.83 -12.28 34.53 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.123 1.882 . . . . 0.0 112.934 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.03 5.35 15.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.642 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -66.8 134.74 94.15 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.578 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 88.7 Cg_exo -47.85 133.08 22.39 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.167 2.578 . . . . 0.0 113.04 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -58.83 -43.77 90.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.902 -177.562 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.45 84.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.9 tt -63.3 -50.23 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.995 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.9 m -62.84 -37.06 85.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.72 95.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.699 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.8 m -70.8 -32.13 69.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.711 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -72.25 -39.71 68.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.104 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.7 p -82.81 -37.32 24.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 0.0 111.107 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.97 36.55 2.15 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.768 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 66.3 m -92.96 147.4 22.87 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.57 138.24 30.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 110.289 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.0 mt -96.57 113.84 31.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.508 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.755 HG23 ' HB ' ' A' ' 1' ' ' THR . 4.6 tt -112.7 124.84 30.97 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.894 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 16.1 Cg_exo -70.07 -14.64 35.34 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 123.125 2.55 . . . . 0.0 112.269 177.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.481 ' H ' HG12 ' A' ' 35' ' ' ILE . . . -106.66 -168.46 22.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.131 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.08 1.71 11.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.764 0.316 . . . . 0.0 111.435 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.73 98.11 6.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.497 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -134.6 132.49 20.76 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.24 141.38 31.49 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.422 2.748 . . . . 0.0 113.028 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.47 51.47 2.58 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.718 -178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -171.08 -35.66 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -92.49 -11.5 34.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.187 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.65 87.9 3.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.677 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.606 ' OD1' ' HA ' ' A' ' 7' ' ' ILE . 6.0 t-20 . . . . . 0 C--O 1.244 0.765 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 t -135.66 149.37 49.27 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.312 0.577 . . . . 0.0 111.912 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 18.9 m -132.72 114.16 13.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.64 175.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.9 m -105.3 152.15 39.78 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.299 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.575 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 51.4 Cg_exo -59.28 -131.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.481 0.739 0 C-N-CA 123.576 2.851 . . . . 0.0 113.199 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -56.36 161.63 2.48 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 121.983 -0.448 . . . . 0.0 110.729 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.603 HG12 HD22 ' A' ' 46' ' ' ASN . 63.7 mt -47.91 -38.2 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.735 -175.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.74 -44.93 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.794 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.12 85.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.978 0.418 . . . . 0.0 110.796 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -65.4 -38.18 89.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.138 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 15' ' ' VAL . 20.3 t -63.86 -50.42 68.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.951 177.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.03 -41.1 74.44 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.693 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -57.37 -50.25 73.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.757 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -71.57 -32.14 67.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.718 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 11' ' ' SER . 95.2 t -67.24 -40.54 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.098 0.475 . . . . 0.0 109.973 175.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.513 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 50.6 t -69.69 -34.31 73.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.988 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.545 ' HD3' ' HA ' ' A' ' 23' ' ' GLU . 19.0 mmm180 -81.4 2.07 30.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.446 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.558 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 2.0 tm? -77.7 -53.36 1.53 Allowed Pre-proline 0 CA--C 1.539 0.536 0 CA-C-O 119.481 -0.295 . . . . 0.0 111.025 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 14.7 Cg_exo -69.67 -23.82 30.79 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.03 1.82 . . . . 0.0 112.377 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.55 6.0 6.87 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.297 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.479 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 5.4 m -65.87 129.29 94.26 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 21' ' ' THR . 51.2 Cg_exo -54.68 145.77 58.13 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.44 2.76 . . . . 0.0 113.124 -175.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HA ' ' HD3' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -66.28 -29.94 70.27 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.415 -175.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.49 77.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.058 0.456 . . . . 0.0 110.19 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.01 -55.12 36.62 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.273 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.1 m -55.68 -48.13 75.59 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.929 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.29 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.967 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -60.82 -31.73 71.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.077 0.465 . . . . 0.0 111.28 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -75.46 -38.51 59.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.282 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -93.21 -15.63 25.71 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.794 0.331 . . . . 0.0 111.422 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.69 32.88 5.78 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.5 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.8 t -108.24 155.47 20.44 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.6 pt -112.49 143.58 21.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.238 0.542 . . . . 0.0 112.159 -175.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.6 mt -104.87 121.98 57.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.551 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.497 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 2.6 pt -142.1 166.28 22.37 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.607 -172.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.497 ' HD2' ' HB ' ' A' ' 35' ' ' ILE . 32.3 Cg_endo -66.0 -49.62 2.02 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.399 176.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.24 173.96 18.85 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.845 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 75.73 -41.22 0.43 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.942 0.897 . . . . 0.0 111.053 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.495 ' O ' HD12 ' A' ' 35' ' ' ILE . 38.5 m -86.75 107.6 18.32 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.4 176.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 t -152.35 101.76 2.77 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.534 ' HB2' ' HD2' ' A' ' 44' ' ' TYR . 31.3 Cg_exo -60.35 156.95 38.02 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.79 2.326 . . . . 0.0 112.028 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.43 -36.42 92.51 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.099 -175.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.575 ' O ' ' HA ' ' A' ' 5' ' ' PRO . 10.2 p-10 -86.79 2.28 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.534 ' HD2' ' HB2' ' A' ' 41' ' ' PRO . 87.2 m-85 -121.29 14.62 11.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.75 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.91 86.57 3.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.871 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.603 HD22 HG12 ' A' ' 7' ' ' ILE . 12.5 t-20 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.591 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.01 0.433 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.528 HG22 ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -131.4 144.14 50.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.318 -172.638 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 m -130.33 122.28 27.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 88.1 m -102.56 155.22 36.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.073 0.463 . . . . 0.0 111.627 -172.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 32' ' ' CYS . 22.7 Cg_exo -67.88 -76.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.885 2.39 . . . . 0.0 113.041 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -91.31 150.67 21.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.234 -177.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 50.4 mt -57.95 -46.3 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -177.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.51 -38.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.23 -4.08 30.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.508 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 26.7 ttt-85 -94.6 -44.29 7.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.931 175.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 15' ' ' VAL . 35.9 m -64.87 -44.47 89.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.49 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -70.0 -26.64 64.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.91 0.386 . . . . 0.0 110.216 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HB2' HG21 ' A' ' 30' ' ' THR . 75.7 t80 -65.78 -45.11 83.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.993 173.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.9 -35.6 80.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.976 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 11' ' ' SER . 58.9 t -67.2 -38.14 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 110.197 176.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 46.0 t -68.9 -24.71 64.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.389 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -82.3 -10.02 59.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.868 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -69.87 -51.79 14.51 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.983 -179.014 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.563 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 4.1 Cg_exo -75.23 -171.51 1.02 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.024 1.816 . . . . 0.0 111.49 176.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.62 47.49 3.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.499 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -100.33 125.67 38.7 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.86 147.34 81.81 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.01 2.473 . . . . 0.0 112.939 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -54.23 -47.66 71.96 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.603 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -43.85 83.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.61 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.27 -53.58 56.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.277 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -66.1 -35.85 81.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.341 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.46 86.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.224 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 m -61.57 -46.71 88.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.129 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -65.77 -31.62 72.71 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.739 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.448 HG21 ' HB2' ' A' ' 13' ' ' PHE . 19.6 p -89.58 -14.9 34.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.782 0.325 . . . . 0.0 111.799 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.46 13.97 80.84 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -173.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.539 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 15.0 t -81.56 156.84 25.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 pt -119.72 137.58 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.187 0.518 . . . . 0.0 111.707 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.0 mt -89.88 125.9 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.591 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 pt -94.47 133.21 27.35 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.101 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -76.4 -6.66 17.31 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.764 2.309 . . . . 0.0 112.096 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.37 -173.1 45.98 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.112 -0.565 . . . . 0.0 112.015 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.7 -36.05 10.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.914 0.387 . . . . 0.0 110.923 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.1 t -115.6 153.18 31.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.023 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.8 t -89.21 141.1 28.94 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.165 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.25 167.49 7.6 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.05 2.5 . . . . 0.0 112.335 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.06 -37.3 8.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.278 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.51 -35.49 80.63 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.538 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -110.82 27.11 9.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.913 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.81 100.27 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.486 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.597 ' HB3' ' O ' ' A' ' 4' ' ' CYS . 27.8 t-20 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.97 -1.014 . . . . 0.0 108.494 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.08 0.467 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.427 HG22 ' SG ' ' A' ' 32' ' ' CYS . 6.3 m -116.05 125.57 52.61 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.132 -176.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.9 m -124.93 113.22 17.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.068 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.8 m -101.33 152.71 38.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.181 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 44' ' ' TYR . 16.2 Cg_exo -69.91 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.763 2.309 . . . . 0.0 112.527 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -70.74 149.08 47.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.353 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.555 HG12 ' ND2' ' A' ' 46' ' ' ASN . 51.2 mt -61.62 -43.01 96.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.182 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.49 -29.56 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.56 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.76 96.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.315 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -65.67 -41.1 92.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.71 0.29 . . . . 0.0 110.506 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.504 ' O ' HG23 ' A' ' 15' ' ' VAL . 13.6 m -57.96 -48.72 79.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.04 -37.32 87.0 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.1 0.476 . . . . 0.0 110.39 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -61.83 -38.72 89.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.322 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -71.09 -32.47 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 11' ' ' SER . 88.9 t -66.86 -35.04 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.076 0.465 . . . . 0.0 110.197 175.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.732 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 6.7 t -61.64 -45.96 91.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.509 . . . . 0.0 111.238 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.976 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 68.5 mtp180 -85.26 10.35 12.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.475 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.535 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 6.4 tt -76.31 -56.71 1.49 Allowed Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.23 177.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 39.4 Cg_endo -69.49 -51.25 0.42 Allowed 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 121.358 1.372 . . . . 0.0 111.671 175.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.92 55.03 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.3 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.732 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 8.0 m -111.3 134.48 21.12 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.91 143.35 82.38 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.144 2.562 . . . . 0.0 113.515 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.976 ' HG2' ' HD2' ' A' ' 17' ' ' ARG . 41.9 mt-10 -55.58 -58.15 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.722 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.08 -37.83 67.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.639 -174.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.68 -52.8 63.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.899 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.5 m -81.59 -25.4 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.937 -175.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.56 95.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.94 0.4 . . . . 0.0 110.325 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.2 m -72.88 -26.23 61.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.879 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.25 -30.65 18.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.938 0.399 . . . . 0.0 111.789 -175.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -102.93 -22.15 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.423 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.99 84.63 1.74 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.939 -177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.427 ' SG ' HG22 ' A' ' 2' ' ' THR . 35.2 t -164.92 154.45 13.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.7 pt -117.21 141.77 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.042 0.449 . . . . 0.0 111.479 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.415 HG12 HG23 ' A' ' 2' ' ' THR . 59.3 mt -115.19 121.74 67.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.819 176.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.2 pt -131.69 152.79 80.99 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.773 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -88.19 9.86 3.6 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.788 2.325 . . . . 0.0 111.853 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.66 -142.88 6.55 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.502 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.75 -42.98 0.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.7 m -86.11 102.12 13.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.125 0.488 . . . . 0.0 112.007 -173.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 94.5 m -107.73 117.98 54.19 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 170.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.64 144.14 99.5 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.594 2.196 . . . . 0.0 111.441 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.04 -12.66 37.8 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.333 -0.46 . . . . 0.0 112.91 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.2 -24.84 64.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.746 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 5' ' ' PRO . 4.4 t80 -142.53 22.78 1.99 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.738 -173.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . . . -125.85 92.46 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.715 -0.394 . . . . 0.0 112.045 -175.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.555 ' ND2' HG12 ' A' ' 7' ' ' ILE . 28.8 t-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.325 -0.845 . . . . 0.0 108.916 169.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.473 0.714 0 CA-C-O 120.967 0.413 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.537 HG22 ' SG ' ' A' ' 32' ' ' CYS . 5.3 m -99.13 122.52 42.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.615 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.6 m -122.41 110.27 15.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.191 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 58.7 m -98.99 146.97 32.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.828 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.64 -75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.255 2.637 . . . . 0.0 113.622 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -92.48 163.11 13.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.381 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.732 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 51.8 mt -57.28 -53.54 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-O 121.222 0.534 . . . . 0.0 110.6 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -56.79 -29.92 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.608 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.82 91.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.419 . . . . 0.0 110.368 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.558 ' HD2' ' OXT' ' A' ' 46' ' ' ASN . 61.8 ttt180 -76.22 -33.54 59.23 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.349 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.0 m -58.51 -53.73 55.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 175.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -60.28 -34.39 73.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.249 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -58.23 -49.29 77.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.833 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -70.48 -39.85 73.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.944 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 11' ' ' SER . 86.1 t -65.19 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.696 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.566 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 39.5 t -70.11 -37.91 75.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.197 178.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -80.83 -8.82 59.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -63.0 -51.5 70.33 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -178.378 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.566 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 2.8 Cg_exo -78.01 -162.05 0.16 Allowed 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.303 2.002 . . . . 0.0 111.787 174.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.92 67.88 3.51 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.541 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -128.4 131.29 23.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 120.599 0.238 . . . . 0.0 110.415 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HG2' ' HB3' ' A' ' 25' ' ' LEU . 12.6 Cg_endo -57.95 134.91 65.43 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.09 2.526 . . . . 0.0 112.766 178.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.2 mp0 -57.67 -44.57 85.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.785 -178.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.19 82.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.275 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.456 ' HB3' ' HG2' ' A' ' 22' ' ' PRO . 34.6 tp -68.63 -43.22 76.78 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.455 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.55 -36.75 85.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.724 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.52 73.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.007 0.432 . . . . 0.0 110.521 177.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.8 m -61.09 -39.48 90.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.916 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -68.44 -28.19 66.84 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.722 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -97.9 -16.38 19.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.923 0.392 . . . . 0.0 111.724 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.75 17.94 62.63 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -175.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.537 ' SG ' HG22 ' A' ' 2' ' ' THR . 26.5 t -89.45 157.72 18.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.5 pt -120.48 145.55 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.063 0.459 . . . . 0.0 111.589 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.5 mt -114.41 97.86 6.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.175 174.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.0 pt -98.89 149.76 36.05 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.731 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.24 -10.45 29.0 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.012 2.475 . . . . 0.0 112.295 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.8 160.7 54.16 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.57 -2.58 32.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.898 0.38 . . . . 0.0 111.304 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.6 t -129.5 148.93 51.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.369 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.9 m -93.7 137.41 23.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.489 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.63 166.66 26.68 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.916 2.41 . . . . 0.0 112.322 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.26 -7.76 68.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.884 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.88 -45.47 94.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -163.7 124.72 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.667 169.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.26 93.39 3.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.332 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.732 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 8.1 t30 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.63 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 110.604 -0.146 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.732 HG23 HG12 ' A' ' 34' ' ' ILE . 6.2 m -98.64 112.08 24.24 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.51 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 64.0 m -137.17 123.29 20.39 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.223 0.535 . . . . 0.0 110.472 -173.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 m -103.14 153.53 38.29 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.39 -175.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.55 -73.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.465 2.777 . . . . 0.0 113.696 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -125.58 -176.91 3.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.74 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.764 HD12 ' H ' ' A' ' 7' ' ' ILE . 4.7 mp -57.32 -40.62 75.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.075 0.464 . . . . 0.0 110.834 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.17 -42.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.248 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.94 84.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.079 0.466 . . . . 0.0 110.503 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.4 -41.97 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.135 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.5 t -62.18 -43.66 98.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.375 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -57.95 -47.36 83.14 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.987 0.422 . . . . 0.0 110.665 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.94 -42.28 89.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.637 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -68.48 -47.73 66.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.664 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 11' ' ' SER . 91.3 t -65.85 -43.14 93.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.687 0.279 . . . . 0.0 111.173 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.91 -43.8 94.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.781 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 65.3 ttp85 -90.07 1.58 56.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.749 0.309 . . . . 0.0 111.342 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 23.8 tp -56.22 -50.88 84.96 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.872 -176.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 32.5 Cg_endo -66.3 -46.81 3.8 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.66 1.573 . . . . 0.0 112.266 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.1 65.02 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.654 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.664 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 5.3 m -112.8 139.56 22.98 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.29 127.68 9.28 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.221 2.614 . . . . 0.0 112.234 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.781 ' HG2' ' HD3' ' A' ' 17' ' ' ARG . 38.2 mt-10 -60.9 -41.4 96.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.955 -172.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -34.64 73.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.928 0.394 . . . . 0.0 111.198 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.34 -51.26 46.4 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.787 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.6 m -65.19 -36.69 84.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.35 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -56.94 12.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.518 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.1 m -57.44 -35.43 70.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -58.08 -38.49 76.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.144 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.6 t -104.66 0.59 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.895 0.379 . . . . 0.0 111.652 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.8 19.35 58.1 Favored Glycine 0 C--O 1.234 0.127 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.148 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.9 t -90.21 147.43 23.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 pt -117.16 137.38 51.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.347 0.594 . . . . 0.0 111.983 -174.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.732 HG12 HG23 ' A' ' 2' ' ' THR . 65.5 mt -109.27 100.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.048 172.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.5 pt -90.72 151.55 43.89 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.337 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -72.38 1.29 6.3 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.894 2.396 . . . . 0.0 112.402 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -106.22 174.65 20.69 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.79 -48.5 6.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.763 0.316 . . . . 0.0 111.347 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.1 m -90.91 125.89 35.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.871 -174.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.4 m -105.27 160.39 26.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.546 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.57 126.59 20.27 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.215 1.943 . . . . 0.0 111.067 172.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.35 -31.42 59.62 Favored Glycine 0 C--N 1.33 0.203 0 O-C-N 123.215 0.322 . . . . 0.0 113.425 -175.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.68 -25.97 66.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 0.0 111.46 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -118.23 20.34 13.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.408 0.623 . . . . 0.0 109.723 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -117.23 87.28 2.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.884 -176.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 . . . . . 0 C--N 1.316 -0.851 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.012 170.465 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -100.04 139.07 36.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.269 0.557 . . . . 0.0 110.369 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -127.24 105.32 8.47 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.735 -175.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.6 m -97.55 148.57 34.62 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -172.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.721 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 42.7 Cg_exo -43.18 -67.08 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 124.518 3.478 . . . . 0.0 114.612 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 t -120.64 165.83 14.51 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.259 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.733 HD13 ' HB3' ' A' ' 46' ' ' ASN . 26.4 mm -54.05 -42.27 54.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.979 0.419 . . . . 0.0 110.112 175.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.15 -38.05 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.774 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.13 82.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.609 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -74.61 -35.07 62.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 m -62.28 -45.86 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.606 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.02 -32.71 74.14 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.991 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -58.77 -31.79 68.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.173 0.511 . . . . 0.0 110.263 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -83.52 -44.73 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.779 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.41 -34.84 66.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.292 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.75 -31.29 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 0.0 111.083 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -90.41 2.88 55.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.824 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 34.5 tp -69.17 -49.18 25.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.371 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 92.7 Cg_endo -81.43 -163.29 0.22 Allowed 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.879 1.719 . . . . 0.0 111.33 169.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.88 73.25 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.916 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -132.5 130.47 21.81 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.93 149.58 89.64 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 123.257 2.638 . . . . 0.0 113.534 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.74 -53.59 56.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.459 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -36.19 75.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.199 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.44 -52.54 61.04 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.831 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.9 m -58.74 -42.33 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.746 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -54.32 47.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.113 0.482 . . . . 0.0 110.8 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -62.76 -37.28 85.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.113 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -68.13 -35.87 78.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.605 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p -84.52 -13.0 53.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.96 0.409 . . . . 0.0 111.465 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.75 18.04 52.57 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 41.4 t -92.71 141.02 28.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.41 137.08 43.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.002 0.43 . . . . 0.0 111.209 -175.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.8 mt -105.87 117.45 51.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.554 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 pt -119.14 134.51 23.67 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.037 0.446 . . . . 0.0 111.143 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -75.31 68.26 6.03 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.815 2.344 . . . . 0.0 110.91 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.92 -173.13 19.37 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.231 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.13 0.97 10.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.201 0.5 . . . . 0.0 111.196 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.4 m -141.28 125.0 16.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.415 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.4 m -81.91 159.1 66.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.075 -178.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.9 147.04 92.17 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.475 2.117 . . . . 0.0 111.194 172.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -21.83 62.7 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.547 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.09 -39.73 75.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.963 0.411 . . . . 0.0 110.755 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.721 ' CD1' ' HA ' ' A' ' 5' ' ' PRO . 26.0 m-85 -126.51 84.8 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.49 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.36 87.42 2.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.034 0.445 . . . . 0.0 111.004 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.733 ' HB3' HD13 ' A' ' 7' ' ' ILE . 48.1 m-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.139 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 120.846 0.355 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.439 HG23 HG12 ' A' ' 34' ' ' ILE . 4.7 m -88.43 120.17 29.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.851 178.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -117.65 95.7 5.06 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.243 0.544 . . . . 0.0 110.496 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.4 m -97.64 156.04 36.53 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.886 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.543 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 31.5 Cg_exo -62.65 -134.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.199 2.599 . . . . 0.0 112.476 175.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -68.72 179.55 1.72 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.348 0.594 . . . . 0.0 111.552 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.48 -45.81 85.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.194 -173.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.76 -41.32 79.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.727 0.298 . . . . 0.0 110.947 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.08 94.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.857 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -59.94 -42.33 93.79 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.044 0.449 . . . . 0.0 110.467 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 15' ' ' VAL . 45.2 t -61.46 -53.15 60.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.428 178.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -59.88 -36.25 76.53 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.09 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.87 -47.37 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -68.82 -41.29 78.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.547 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 11' ' ' SER . 92.4 t -63.06 -38.3 81.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.993 0.425 . . . . 0.0 110.459 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.535 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.2 t -73.04 -29.36 62.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.52 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -80.39 -8.01 59.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.343 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.8 tt -75.98 -51.65 2.8 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.061 -178.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.563 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 16.8 Cg_exo -69.1 179.46 3.32 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.446 2.097 . . . . 0.0 112.495 177.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.57 73.54 2.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.61 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 t -136.1 146.25 55.7 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.78 135.39 69.29 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.037 2.491 . . . . 0.0 113.009 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -34.87 77.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.56 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.11 -37.23 74.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.105 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.8 tp -69.05 -47.81 64.43 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.38 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.3 m -64.31 -35.84 82.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.977 0.418 . . . . 0.0 110.775 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.27 69.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.355 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.3 m -60.6 -43.31 97.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -62.58 -36.6 83.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.668 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.1 p -89.19 -24.11 22.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.907 0.384 . . . . 0.0 111.826 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.78 18.81 39.33 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.9 t -92.84 143.02 26.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.399 . . . . 0.0 110.062 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.0 pt -123.38 148.09 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.465 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.439 HG12 HG23 ' A' ' 2' ' ' THR . 77.6 mt -116.67 105.79 18.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.038 0.447 . . . . 0.0 110.379 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 26.7 pt -92.95 141.51 24.25 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.626 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 13.2 Cg_exo -70.7 -29.84 18.82 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.838 2.359 . . . . 0.0 112.877 -177.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -142.01 158.75 26.86 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.811 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 37' ' ' GLY . . . 78.84 153.49 0.13 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.915 0.886 . . . . 0.0 110.833 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -83.72 172.93 11.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.831 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 61.4 m -83.86 153.12 63.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.456 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.67 149.16 92.08 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.546 2.164 . . . . 0.0 111.433 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.42 -31.81 75.42 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.981 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -94.84 9.37 39.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.833 0.349 . . . . 0.0 110.623 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -140.95 29.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.262 0.553 . . . . 0.0 109.725 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . . . -132.3 87.26 2.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.926 178.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.543 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 5.1 m-20 . . . . . 0 C--O 1.247 0.97 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.557 ' O ' HG12 ' A' ' 35' ' ' ILE . 13.2 m . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.047 0.451 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 m -93.33 136.04 33.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.6 m -139.58 122.93 17.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.849 0.357 . . . . 0.0 110.694 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 72.4 m -111.1 147.24 36.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -173.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HB2' ' H ' ' A' ' 6' ' ' SER . 52.3 Cg_exo -56.79 -74.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.305 2.67 . . . . 0.0 113.372 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 31.4 t -77.26 147.16 36.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.049 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.704 HD12 ' H ' ' A' ' 7' ' ' ILE . 4.5 mp -61.36 -37.01 76.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.67 -35.4 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.707 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.68 77.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.528 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 7' ' ' ILE . 17.8 tpp180 -58.64 -42.47 88.4 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.268 175.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.453 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.9 t -69.08 -48.13 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.47 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.08 -36.61 75.41 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.556 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.87 -45.28 92.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.978 0.418 . . . . 0.0 110.933 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -74.8 -18.48 60.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.297 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 11' ' ' SER . 92.7 t -79.18 -38.49 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.96 0.409 . . . . 0.0 110.093 174.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 51.1 t -69.99 -41.39 74.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.117 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -84.03 0.23 49.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.16 0.505 . . . . 0.0 110.777 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.548 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 40.3 tp -70.27 -50.17 16.0 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 -175.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 13.9 Cg_exo -71.61 0.26 7.23 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.342 2.028 . . . . 0.0 112.855 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.32 9.33 31.75 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -73.38 129.25 86.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -49.34 136.09 31.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.34 2.693 . . . . 0.0 113.462 -176.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -65.99 -40.03 90.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.674 -176.775 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.92 78.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.091 0.472 . . . . 0.0 110.906 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.27 -45.8 62.33 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.21 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.5 m -64.55 -37.34 87.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.248 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.63 89.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.065 0.459 . . . . 0.0 110.334 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.1 m -69.69 -33.21 72.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.78 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -74.84 -43.33 55.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.042 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -98.0 -1.31 42.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.918 0.389 . . . . 0.0 111.61 -169.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.12 68.17 1.52 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.256 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.1 t -148.47 158.62 44.23 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.6 pt -120.84 143.16 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.08 0.466 . . . . 0.0 111.79 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.8 mt -117.12 121.49 67.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.376 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 1' ' ' THR . 30.4 pt -74.14 150.96 88.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.949 0.404 . . . . 0.0 111.83 -175.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 2.2 Cg_endo -81.87 -3.28 11.7 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 123.18 2.587 . . . . 0.0 112.295 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.2 173.88 32.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.269 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 68.42 -101.52 0.05 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 124.426 1.09 . . . . 0.0 111.411 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -173.35 163.53 4.53 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.603 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 79.0 m -81.35 145.34 55.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.645 0.26 . . . . 0.0 110.437 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 14.1 Cg_exo -70.75 157.31 58.82 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.734 2.29 . . . . 0.0 111.462 174.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.16 -20.94 63.42 Favored Glycine 0 C--O 1.235 0.187 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.338 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.37 -30.88 70.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 110.914 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.65 78.78 1.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.094 0.474 . . . . 0.0 110.543 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.27 105.19 7.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.103 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.588 ' HB3' ' O ' ' A' ' 4' ' ' CYS . 2.2 t-20 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.118 -175.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 13.8 t -120.87 137.41 54.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.526 0.679 . . . . 0.0 111.599 -178.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.8 m -130.03 139.84 50.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.468 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.0 m -116.51 173.31 3.14 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.577 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.05 -152.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.489 2.126 . . . . 0.0 110.54 165.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -45.36 149.71 0.51 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 122.668 0.387 . . . . 0.0 111.71 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm -49.51 -33.66 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.104 0.562 . . . . 0.0 112.502 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -55.14 -30.54 24.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 121.212 0.529 . . . . 0.0 111.464 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.71 70.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.029 -0.419 . . . . 0.0 110.909 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -70.21 -38.66 75.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.726 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.6 p -63.25 -41.26 99.05 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.495 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -62.14 -40.37 95.73 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.291 174.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.728 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 82.1 t80 -60.41 -39.08 86.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.311 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -68.93 -41.5 78.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.533 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 11' ' ' SER . 88.2 t -61.64 -39.39 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.348 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.813 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -52.38 -47.8 65.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.006 0.431 . . . . 0.0 111.545 175.107 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -88.55 5.04 44.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.794 -172.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.651 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 9.3 tt -72.39 -51.98 7.17 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.74 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.2 Cg_exo -76.16 -36.08 2.06 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.83 1.687 . . . . 0.0 111.617 176.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.62 81.57 0.22 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.189 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.813 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 2.2 m -135.09 138.51 29.46 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.628 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 88.7 Cg_exo -49.04 131.02 25.07 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 123.328 2.685 . . . . 0.0 113.977 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.728 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 34.6 tt0 -55.19 -55.4 31.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.086 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.09 79.24 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.577 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.628 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.5 tt -56.93 -59.32 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.177 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.7 m -69.15 -36.61 77.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.974 -175.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.93 67.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.287 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.7 m -65.96 -32.55 74.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.139 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -72.68 -39.36 67.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.449 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -90.83 -22.08 21.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 -171.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.05 22.84 6.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.705 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 69.2 m -96.11 137.97 34.41 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 2' ' ' THR . 34.1 pt -99.19 138.85 22.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.509 -178.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -112.72 104.4 16.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.224 0.535 . . . . 0.0 110.169 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.1 pt -107.06 149.03 38.11 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.464 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -52.03 -35.67 62.28 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.368 2.712 . . . . 0.0 113.317 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.92 125.85 0.86 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.89 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 170.54 150.89 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 t -78.0 133.54 37.97 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.4 m -82.09 143.06 48.59 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.312 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.69 147.42 95.38 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.59 2.194 . . . . 0.0 110.978 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.58 -28.01 43.91 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.572 -0.347 . . . . 0.0 112.924 -176.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -55.3 -39.25 69.68 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.887 0.475 . . . . 0.0 111.718 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -127.94 15.5 6.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.027 0.442 . . . . 0.0 110.871 -175.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.91 85.87 7.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.174 0.511 . . . . 0.0 109.99 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.967 179.816 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.0 0.429 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 m -114.07 113.34 24.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 57.0 m -120.2 130.71 54.67 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.644 -172.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.419 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 85.0 m -101.91 172.45 4.38 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.981 -174.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 4' ' ' CYS . 36.9 Cg_exo -61.63 -165.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.662 2.241 . . . . 0.0 111.438 169.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -56.01 164.56 1.18 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.156 0.503 . . . . 0.0 111.532 -175.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.4 mt -44.07 -45.38 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 114.855 -1.066 . . . . 0.0 113.253 -169.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -51.49 -52.71 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.45 71.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.257 0.551 . . . . 0.0 110.54 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 3.4 tmt_? -66.22 -35.26 79.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.951 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 36.7 m -65.91 -44.98 83.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.448 175.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -62.86 -31.66 72.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.9 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -58.16 -49.98 75.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.497 173.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -64.52 -38.48 91.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.066 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' SER . 73.6 t -66.23 -32.33 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.732 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.538 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.5 t -64.82 -38.99 92.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.362 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 21' ' ' THR . 74.4 ttt180 -86.16 -3.17 58.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.088 0.47 . . . . 0.0 110.912 -177.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 5.7 tt -63.34 -50.05 76.15 Favored Pre-proline 0 CA--C 1.541 0.604 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.79 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 7.3 Cg_exo -74.85 15.31 0.72 Allowed 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.294 1.996 . . . . 0.0 112.796 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.32 39.98 11.88 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.882 176.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.462 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 58.5 m -99.27 132.98 22.42 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.568 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 81.7 Cg_exo -45.38 140.39 8.4 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.723 2.948 . . . . 0.0 114.038 -176.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -47.47 85.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.909 -176.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.36 94.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.073 0.463 . . . . 0.0 110.925 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.5 tt -58.11 -55.19 38.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.896 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.8 m -62.99 -38.28 90.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.352 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.87 80.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 110.822 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.0 m -68.94 -31.32 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -72.3 -34.99 68.55 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.226 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 p -88.3 -36.37 16.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.879 0.371 . . . . 0.0 111.397 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.64 30.77 2.3 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.395 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.6 m -85.9 147.2 26.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.0 pt -107.99 138.35 34.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.098 0.475 . . . . 0.0 111.205 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.2 mp -97.25 137.25 25.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.701 176.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 42.9 pt -122.81 133.44 24.46 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-O 120.771 0.32 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 6.5 Cg_exo -75.55 -13.05 20.43 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.824 2.349 . . . . 0.0 111.746 174.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.56 -159.42 31.01 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' HB ' ' A' ' 39' ' ' THR . . . 73.44 -16.01 0.52 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.748 0.819 . . . . 0.0 112.735 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 55.2 m 67.94 145.68 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.454 0.645 . . . . 0.0 112.358 177.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 65.7 m -81.57 140.27 47.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.446 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 21.3 Cg_exo -66.42 164.86 26.87 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.79 2.327 . . . . 0.0 111.524 175.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.04 -33.1 82.76 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.716 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.3 -46.52 83.1 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.284 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.439 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 51.5 m-85 -105.1 22.01 16.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.356 -177.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.8 85.44 6.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.315 0.579 . . . . 0.0 109.47 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.466 ' HB3' ' HG3' ' A' ' 10' ' ' ARG . 33.9 m-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.671 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.618 HG23 ' HA ' ' A' ' 38' ' ' ALA . 9.7 p . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 t -94.72 107.68 19.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.714 0.768 . . . . 0.0 109.031 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.4 m -131.2 129.3 41.49 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.437 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.5 m -108.8 160.0 28.92 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.431 -173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -53.41 -64.87 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.022 2.481 . . . . 0.0 112.268 173.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -121.15 159.85 24.97 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.168 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.5 mm -57.92 -31.74 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.772 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.0 t -53.51 -42.65 50.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.743 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.26 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.804 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -66.47 -45.31 80.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.616 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 15' ' ' VAL . 48.0 m -64.99 -36.62 84.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.772 0.32 . . . . 0.0 110.25 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -60.37 -44.73 95.32 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -58.11 -43.21 87.05 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.822 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -62.62 -49.08 76.63 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.102 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 11' ' ' SER . 74.9 t -64.17 -37.42 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.079 0.466 . . . . 0.0 110.582 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.2 t -61.86 -45.27 94.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 23' ' ' GLU . 69.5 mtp180 -87.32 8.6 23.63 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.1 tp -58.88 -47.84 97.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.55 -178.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 83.5 Cg_endo -82.54 11.42 3.21 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.15 1.9 . . . . 0.0 113.001 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.97 7.74 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.962 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -76.61 137.41 67.08 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -45.44 136.44 11.74 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.274 2.649 . . . . 0.0 112.984 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 17' ' ' ARG . 1.5 pm0 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.461 -177.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.62 94.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.431 . . . . 0.0 110.591 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.64 -57.43 12.73 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.275 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.2 m -67.24 -35.49 79.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.679 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.42 99.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.557 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -71.2 -39.74 71.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.617 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.82 -35.35 80.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.5 p -87.67 -51.6 5.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.972 0.415 . . . . 0.0 111.71 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.02 21.84 3.38 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -173.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.98 138.9 32.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.1 pt -101.47 140.48 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.624 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.5 mt -111.34 100.67 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.134 0.492 . . . . 0.0 109.787 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 1' ' ' THR . 25.5 pt -109.6 151.94 42.52 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.935 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.99 -29.26 66.48 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.953 2.436 . . . . 0.0 112.661 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.26 142.88 23.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.11 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.618 ' HA ' HG23 ' A' ' 1' ' ' THR . . . -87.24 -15.72 37.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.024 0.44 . . . . 0.0 110.386 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 t -78.66 110.2 13.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.693 0.759 . . . . 0.0 111.587 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.6 m -122.14 122.8 27.45 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 171.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.28 152.21 77.82 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.481 2.121 . . . . 0.0 111.002 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.8 -22.46 33.75 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.257 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.9 -35.74 69.34 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 123.219 0.608 . . . . 0.0 111.714 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -135.13 17.47 3.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.208 0.528 . . . . 0.0 110.813 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.93 85.82 5.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.042 0.448 . . . . 0.0 110.402 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 . . . . . 0 C--N 1.316 -0.887 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.158 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.3 m -115.37 126.15 54.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.758 0.313 . . . . 0.0 110.872 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.0 m -143.01 144.63 32.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.843 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 m -128.29 146.41 59.52 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.66 -171.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.488 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 7.9 Cg_exo -72.17 162.59 41.24 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.519 2.146 . . . . 0.0 110.73 172.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t 57.16 121.27 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.723 0.773 . . . . 0.0 112.787 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -58.62 -33.55 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.865 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.48 -43.73 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.447 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.563 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . . . -68.05 -44.77 75.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -64.29 -29.32 70.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 110.293 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 t -68.42 -55.6 11.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.474 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.563 ' ND2' ' HA ' ' A' ' 9' ' ' ALA . 9.4 p30 -70.03 -23.42 63.11 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.903 -177.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -55.1 -44.37 74.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.067 0.46 . . . . 0.0 110.232 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -72.44 -33.38 67.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.0 t -68.87 -28.01 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.205 0.526 . . . . 0.0 110.31 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.6 t -64.28 -35.23 80.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.554 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -87.2 -1.96 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -67.33 -52.12 30.51 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.743 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 22.9 Cg_exo -66.18 -24.4 51.55 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.047 1.832 . . . . 0.0 111.631 175.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.11 28.71 1.78 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.067 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -86.09 128.25 58.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.48 143.24 36.26 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.344 2.696 . . . . 0.0 113.242 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -37.47 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.452 -176.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.59 -53.66 53.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.791 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.24 -43.68 90.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.226 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -61.49 -37.02 82.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.687 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.571 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . . . -64.43 -48.98 73.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.988 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m -61.77 -33.26 73.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.031 0.443 . . . . 0.0 111.333 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -77.89 -27.8 49.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.383 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.8 p -99.35 -24.84 14.68 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.77 14.59 36.71 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -175.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.571 ' HB3' ' HA ' ' A' ' 27' ' ' ALA . 49.7 t -76.44 152.26 36.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.182 -0.509 . . . . 0.0 110.259 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.9 pt -116.77 138.92 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.388 0.613 . . . . 0.0 111.677 -176.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.8 mt -109.5 104.87 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.467 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 pt -109.56 142.37 25.57 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.3 -175.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.7 -11.83 22.1 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.696 2.264 . . . . 0.0 112.079 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.77 149.17 49.37 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.06 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.24 66.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.724 0.297 . . . . 0.0 111.358 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 m -119.05 140.28 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.415 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.8 m -82.05 144.63 51.42 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.446 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -58.86 142.05 98.65 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.492 2.128 . . . . 0.0 111.944 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.4 -25.29 40.85 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.963 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.18 -34.91 64.25 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.746 0.308 . . . . 0.0 111.409 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -116.01 26.04 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.142 0.496 . . . . 0.0 110.892 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.8 86.82 6.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.039 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.676 0.274 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.421 ' HA ' HD13 ' A' ' 34' ' ' ILE . 7.3 m -86.79 127.62 35.01 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.212 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -126.45 108.84 11.56 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.5 m -110.24 145.21 31.68 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.746 -0.207 . . . . 0.0 110.914 -174.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.616 ' HA ' ' HD1' ' A' ' 44' ' ' TYR . 82.5 Cg_exo -50.98 -69.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.502 2.801 . . . . 0.0 113.33 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -118.48 170.96 8.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.561 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.39 -33.11 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.66 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.0 -39.37 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.51 90.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.771 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 39.7 ttm-85 -66.24 -35.98 81.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.766 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 15' ' ' VAL . 24.1 t -59.82 -49.89 75.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.138 178.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -70.0 -31.22 68.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 10' ' ' ARG . 64.5 t80 -55.18 -46.45 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.233 173.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -67.54 -35.52 79.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.076 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 11' ' ' SER . 83.9 t -62.42 -43.88 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.481 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.587 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 33.8 t -67.63 -37.8 82.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.883 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.769 ' HE ' ' HG2' ' A' ' 23' ' ' GLU . 43.0 ttt-85 -83.54 2.17 38.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.866 -175.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 49.0 tp -77.28 -51.05 2.06 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.027 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 16.5 Cg_exo -69.37 -10.97 30.27 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.03 1.82 . . . . 0.0 112.756 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.84 35.73 2.33 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.783 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.678 ' HB ' ' SG ' ' A' ' 26' ' ' CYS . 1.9 m -90.94 134.79 29.6 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.749 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 76.3 Cg_exo -42.14 136.29 3.77 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.546 2.831 . . . . 0.0 113.697 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.769 ' HG2' ' HE ' ' A' ' 17' ' ' ARG . 29.6 mt-10 -56.77 -54.07 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.04 -175.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -32.71 74.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.275 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.749 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -63.18 -54.89 30.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.298 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.678 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 87.6 m -58.58 -32.44 68.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.16 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.03 -60.58 3.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.385 . . . . 0.0 110.585 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -65.75 -33.66 76.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.194 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.53 -36.6 81.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.232 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 m -100.69 -38.52 8.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.601 -172.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.51 63.09 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.782 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.9 t -152.66 149.59 28.58 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.1 pt -110.93 138.41 39.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.313 0.577 . . . . 0.0 111.884 -174.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 2' ' ' THR . 46.0 mm -102.19 139.45 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.097 175.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 46.7 pt -135.0 148.0 65.07 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.378 177.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 4.6 Cg_exo -78.23 10.96 2.51 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.009 2.472 . . . . 0.0 112.107 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.29 158.83 17.32 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.24 -45.18 23.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.741 0.305 . . . . 0.0 111.427 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.4 m -92.07 126.15 37.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.644 -174.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.7 m -87.84 142.21 32.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.276 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.69 141.8 98.0 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.302 2.001 . . . . 0.0 111.134 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.51 -23.08 60.02 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.963 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.4 -33.43 75.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.945 0.402 . . . . 0.0 110.481 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.616 ' HD1' ' HA ' ' A' ' 5' ' ' PRO . 53.2 m-85 -131.02 42.78 3.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.328 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.48 85.48 2.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.198 0.523 . . . . 0.0 110.458 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.244 0.785 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.075 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.451 HG22 ' SG ' ' A' ' 3' ' ' CYS . 2.8 m . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.625 HG23 HG12 ' A' ' 34' ' ' ILE . 2.5 m -113.69 115.91 28.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.932 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.785 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 24.7 m -133.84 128.59 35.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.363 -171.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.0 m -107.66 154.68 40.72 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.432 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.05 -68.99 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.246 2.63 . . . . 0.0 112.48 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -118.8 168.42 10.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.385 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.89 -27.71 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.962 0.411 . . . . 0.0 110.29 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.48 -35.91 66.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.227 0.537 . . . . 0.0 109.783 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -36.64 76.4 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.409 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttm-85 -63.59 -41.03 98.37 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.5 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.627 ' HA ' HD21 ' A' ' 14' ' ' ASN . 49.4 m -61.04 -50.71 72.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.047 0.451 . . . . 0.0 110.233 175.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.417 HD22 HG23 ' A' ' 30' ' ' THR . 43.5 t30 -58.08 -36.16 72.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.648 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 85.1 t80 -59.33 -54.32 48.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.766 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.627 HD21 ' HA ' ' A' ' 11' ' ' SER . 10.3 p30 -73.09 -27.41 61.7 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.091 -175.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 11' ' ' SER . 73.2 t -66.6 -37.13 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.555 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 37.9 t -67.38 -36.94 82.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -80.75 -13.54 58.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.937 -176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 55.1 tp -61.02 -49.71 87.78 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.555 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 24.0 Cg_exo -66.52 -0.42 4.37 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.402 2.068 . . . . 0.0 113.555 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.33 19.05 17.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.348 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -80.6 138.05 51.15 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.577 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 53.8 Cg_exo -52.02 146.7 28.82 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.172 2.581 . . . . 0.0 113.568 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.566 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 38.8 tt0 -63.84 -49.67 71.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.03 -178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -34.85 78.34 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.099 0.476 . . . . 0.0 110.843 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.8 tt -62.51 -54.83 34.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.881 177.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -66.34 -29.69 69.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.571 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.2 -51.18 71.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 0.0 110.013 175.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -70.29 -32.8 70.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.614 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.17 -32.64 74.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.976 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.417 HG23 HD22 ' A' ' 12' ' ' ASN . 6.7 m -102.26 -39.59 7.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.512 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.49 12.6 6.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.122 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.7 m -85.4 143.0 28.87 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 pt -105.71 137.43 35.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.057 0.456 . . . . 0.0 110.844 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.625 HG12 HG23 ' A' ' 2' ' ' THR . 71.0 mt -118.88 98.03 5.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.46 176.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.5 pt -111.65 137.03 21.09 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.929 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -88.96 1.05 6.17 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.699 2.266 . . . . 0.0 112.462 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.67 117.43 5.71 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.986 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 49.56 -94.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 124.409 1.083 . . . . 0.0 112.977 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -163.94 175.96 9.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.784 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 18.6 m -97.75 158.15 33.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.47 140.12 82.59 Favored 'Trans proline' 0 C--O 1.239 0.544 0 C-N-CA 122.383 2.055 . . . . 0.0 111.363 173.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.76 62.45 2.81 Favored Glycine 0 N--CA 1.454 -0.146 0 CA-C-N 116.325 -0.398 . . . . 0.0 113.117 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -171.03 -33.11 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -99.41 6.24 46.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.558 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.785 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -102.7 86.44 2.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.091 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 . . . . . 0 C--O 1.243 0.74 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.612 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.857 0.36 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.2 m -91.78 130.39 37.57 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.24 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.3 m -134.25 148.13 50.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.173 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.8 t -155.32 143.46 14.38 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -172.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 2.7 Cg_exo -77.65 160.0 31.59 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.498 2.132 . . . . 0.0 111.094 170.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t 59.5 124.72 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.846 0.831 . . . . 0.0 112.641 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.58 HD13 ' HB3' ' A' ' 46' ' ' ASN . 45.5 mm -60.52 -33.75 55.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.205 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.14 -35.75 75.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.986 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.98 90.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.881 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttm-85 -66.82 -33.53 75.82 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 110.101 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.448 ' O ' HG23 ' A' ' 15' ' ' VAL . 45.8 m -65.07 -45.85 83.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.101 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.49 -38.54 81.14 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.446 ' HZ ' ' HB2' ' A' ' 23' ' ' GLU . 51.3 t80 -56.54 -47.36 79.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.983 175.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -66.58 -40.69 89.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.372 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 11' ' ' SER . 99.7 t -62.66 -37.87 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.893 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.41 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 38.6 t -66.54 -38.88 88.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.213 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 21' ' ' THR . 75.1 ttt180 -80.24 -22.63 41.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.754 -175.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.532 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.8 tp -51.45 -51.29 70.55 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.7 Cg_exo -74.41 12.21 1.12 Allowed 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.531 2.154 . . . . 0.0 113.707 -175.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.02 57.03 1.17 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.204 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.561 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 3.2 m -128.5 131.88 24.03 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.77 136.92 73.48 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.971 2.448 . . . . 0.0 112.272 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.446 ' HB2' ' HZ ' ' A' ' 13' ' ' PHE . 12.9 pt-20 -61.72 -38.01 86.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.927 -174.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.21 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.72 -50.81 69.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.2 m -66.47 -37.45 85.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.792 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.57 89.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.989 0.423 . . . . 0.0 110.523 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -68.1 -25.7 65.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.188 0.518 . . . . 0.0 110.523 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -78.13 -35.34 49.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.971 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.2 p -87.46 -16.05 35.9 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.21 22.06 16.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.081 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.9 m -94.34 162.74 13.71 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 pt -117.54 143.63 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.979 0.419 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 82.6 mt -118.37 118.4 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 pt -113.4 145.5 33.41 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -64.5 -19.55 65.21 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.912 2.408 . . . . 0.0 111.598 175.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.8 154.96 45.64 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.959 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.58 -29.32 41.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.9 m -139.47 135.53 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.879 0.371 . . . . 0.0 111.215 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.1 m -94.72 164.96 18.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.818 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.47 125.79 19.44 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 121.83 1.686 . . . . 0.0 110.361 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.73 -18.68 62.02 Favored Glycine 0 N--CA 1.455 -0.06 0 C-N-CA 121.363 -0.446 . . . . 0.0 113.061 -173.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.94 -32.15 71.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 110.178 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -102.83 -4.56 24.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.006 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.23 101.64 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.053 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.58 ' HB3' HD13 ' A' ' 7' ' ' ILE . 13.3 m120 . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.438 -0.792 . . . . 0.0 109.722 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.609 0.242 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 m -103.44 131.94 50.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.694 0.283 . . . . 0.0 110.547 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.407 ' HB3' ' HD1' ' A' ' 44' ' ' TYR . 40.5 m -124.79 105.78 9.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.027 0.441 . . . . 0.0 110.233 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 78.3 m -106.48 142.05 24.09 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 -177.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -43.73 -66.15 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.378 2.719 . . . . 0.0 112.795 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -120.18 160.62 22.55 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.762 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.03 -31.2 36.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.972 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.9 t -53.36 -37.07 28.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.405 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -67.75 -40.12 84.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.849 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -68.99 -40.69 78.62 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 110.444 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -58.85 -43.31 90.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.412 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -73.93 -31.49 63.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -57.03 -49.76 74.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.746 0.308 . . . . 0.0 110.973 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -63.9 -40.98 97.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.8 t -62.65 -42.33 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.956 0.408 . . . . 0.0 110.583 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.544 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 41.6 t -64.05 -32.68 74.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.366 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.605 ' HD2' ' HG3' ' A' ' 23' ' ' GLU . 18.4 ttp180 -87.61 3.62 46.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 111.119 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.602 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 5.4 tt -74.87 -49.48 4.42 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.4 Cg_exo -75.46 -169.52 0.67 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.028 1.818 . . . . 0.0 111.303 171.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.36 71.21 2.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.696 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.72 127.45 22.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.7 152.65 77.03 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.962 2.442 . . . . 0.0 113.028 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.605 ' HG3' ' HD2' ' A' ' 17' ' ' ARG . 7.0 mp0 -62.44 -49.53 75.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.636 -177.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.22 -32.52 70.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.109 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.41 -54.47 16.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.2 m -60.92 -36.87 80.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.728 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -57.49 12.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.6 m -65.43 -32.71 74.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.855 0.359 . . . . 0.0 111.0 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -64.07 -34.53 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p -92.26 -12.23 33.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.119 0.485 . . . . 0.0 111.006 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.98 14.11 65.27 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.737 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.0 t -92.5 157.63 16.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 pt -125.9 137.74 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.233 0.539 . . . . 0.0 111.273 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.3 mt -104.79 112.74 39.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.854 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.45 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 41.8 pt -97.1 143.27 25.83 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.833 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 14.5 Cg_exo -69.56 -16.05 38.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 123.101 2.534 . . . . 0.0 111.921 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.65 140.8 26.6 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.035 -0.603 . . . . 0.0 111.851 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.39 -7.93 58.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.657 0.265 . . . . 0.0 111.553 -176.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -114.03 106.21 14.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.843 0.354 . . . . 0.0 111.106 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 46.5 t -93.41 131.09 33.43 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 37.5 Cg_exo -57.78 128.23 28.29 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.62 2.213 . . . . 0.0 111.639 178.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.47 52.42 Favored Glycine 0 C--N 1.329 0.16 0 O-C-N 123.365 0.416 . . . . 0.0 113.195 -175.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.07 -42.97 96.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.987 0.423 . . . . 0.0 111.469 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.407 ' HD1' ' HB3' ' A' ' 3' ' ' CYS . 2.7 t80 -97.45 -5.2 36.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.144 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.36 87.0 5.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.241 0.543 . . . . 0.0 110.498 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 36.8 m-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.396 -0.812 . . . . 0.0 109.545 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.431 ' HA ' ' OE1' ' A' ' 23' ' ' GLU . 26.6 m . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -81.41 140.96 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.311 0.577 . . . . 0.0 111.571 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.3 m -116.27 134.32 55.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.468 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 71.8 m -109.77 147.02 35.29 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.054 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -48.03 -72.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.653 2.902 . . . . 0.0 113.065 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -118.82 169.29 9.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.218 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -57.54 -29.86 35.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.015 0.436 . . . . 0.0 110.643 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -52.47 -48.35 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.654 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -64.03 -40.69 96.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.948 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -63.93 -41.0 97.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.023 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.8 p -62.91 -32.62 73.94 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.769 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.51 -39.95 67.22 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -60.33 -41.11 92.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.788 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -56.09 -43.58 78.19 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.395 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.44 -41.13 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.745 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.1 t -61.03 -37.43 82.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.508 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 21' ' ' THR . 10.2 ttp180 -88.98 8.88 27.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.046 0.45 . . . . 0.0 111.436 -175.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.554 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.4 tm? -58.68 -49.96 90.63 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.202 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 13.5 Cg_exo -71.42 -2.58 11.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 122.311 2.008 . . . . 0.0 113.291 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.67 26.65 12.76 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.257 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 5.4 m -72.1 129.93 87.15 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -51.01 144.06 29.16 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.838 2.359 . . . . 0.0 112.17 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' A' ' 1' ' ' THR . 13.5 pt-20 -62.95 -35.21 79.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.758 -172.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.91 94.17 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.939 0.4 . . . . 0.0 110.981 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.47 -49.9 74.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.076 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.4 m -69.2 -31.7 70.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.763 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.87 -49.51 73.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.798 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.4 m -67.08 -25.26 66.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.073 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.54 -13.54 48.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.165 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m -114.42 -27.85 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.667 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.75 19.21 9.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.162 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.6 m -91.88 158.19 16.44 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.4 pt -98.23 154.87 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 110.653 -177.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -115.46 110.87 33.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.166 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 pt -114.12 147.2 37.33 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.155 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.92 25.5 0.63 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.937 2.424 . . . . 0.0 112.075 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.71 157.46 16.18 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.834 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.14 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 t -123.51 164.2 19.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.989 0.423 . . . . 0.0 111.345 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.8 m -101.07 148.66 35.41 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.322 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.45 146.26 91.07 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.267 2.645 . . . . 0.0 112.719 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.0 61.83 2.13 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.798 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -170.2 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.57 0.7 . . . . 0.0 109.116 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -116.69 14.0 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.539 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.11 87.6 6.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.257 177.4 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.781 HG23 HG12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -79.31 118.53 21.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.313 0.245 . . . . 0.0 110.59 177.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.3 m -106.68 103.5 12.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.4 m -105.45 162.86 18.43 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.713 -0.222 . . . . 0.0 110.877 -175.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -70.48 -149.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.158 2.572 . . . . 0.0 111.663 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -41.7 143.35 0.52 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.752 0.421 . . . . 0.0 111.847 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.1 mm -49.22 -38.72 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.448 -172.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.1 t -61.3 -34.28 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.975 0.416 . . . . 0.0 111.175 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.03 94.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.349 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 52.1 ttm-85 -64.85 -37.1 86.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.06 0.457 . . . . 0.0 110.428 177.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 15' ' ' VAL . 17.8 m -61.3 -46.2 91.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.415 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.27 -37.6 88.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.215 0.531 . . . . 0.0 110.141 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.701 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 65.2 t80 -58.18 -43.97 87.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.95 176.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.88 -36.17 77.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.886 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 11' ' ' SER . 82.5 t -60.99 -40.51 85.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.371 . . . . 0.0 110.275 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.529 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 35.8 t -62.51 -38.75 91.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.126 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -79.82 -15.17 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.76 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.4 tm? -56.45 -52.29 74.41 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-O 119.44 -0.314 . . . . 0.0 111.605 -176.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 15.7 Cg_exo -70.23 7.63 1.08 Allowed 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.34 2.027 . . . . 0.0 113.426 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.1 36.72 6.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.233 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -94.47 133.04 27.61 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 72.5 Cg_exo -49.44 142.4 23.14 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.097 2.531 . . . . 0.0 113.11 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.701 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 48.8 tt0 -60.92 -46.47 90.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.841 -177.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -36.33 80.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.946 0.403 . . . . 0.0 111.068 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -64.19 -51.73 62.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.069 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.8 m -67.89 -29.52 68.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.522 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.64 80.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.249 0.547 . . . . 0.0 110.102 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 m -80.73 -39.67 26.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.613 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -64.98 -41.38 95.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.658 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 m -102.72 -42.85 5.75 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.266 -172.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.29 89.97 0.93 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.279 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' SG ' HG22 ' A' ' 2' ' ' THR . 43.4 t -167.5 155.71 9.31 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 pt -115.41 145.99 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.332 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.781 HG12 HG23 ' A' ' 2' ' ' THR . 50.2 mt -121.68 117.9 54.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.988 -175.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 pt -97.52 121.1 59.26 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 169.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.8 -11.35 28.86 Favored 'Trans proline' 0 N--CA 1.474 0.365 0 C-N-CA 123.09 2.526 . . . . 0.0 113.294 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.77 159.05 27.93 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 75.87 146.31 0.09 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.17 162.53 25.7 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.1 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 57.7 m -80.44 140.8 52.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 31.6 Cg_exo -59.33 141.65 98.0 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.199 . . . . 0.0 111.426 175.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.23 -28.72 50.7 Favored Glycine 0 C--N 1.331 0.298 0 O-C-N 123.314 0.384 . . . . 0.0 113.032 -176.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.72 -44.48 90.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.0 111.532 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -116.42 21.3 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.331 0.586 . . . . 0.0 110.154 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.34 86.84 7.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.285 0.564 . . . . 0.0 110.216 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m120 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.43 178.438 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.48 0.181 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.651 HG23 HG12 ' A' ' 34' ' ' ILE . 4.7 m -79.41 111.52 15.75 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 172.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.6 m -137.04 105.47 5.77 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.36 0.6 . . . . 0.0 110.881 -172.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.443 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 20.1 m -107.04 162.53 19.4 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.615 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.87 -153.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.653 2.235 . . . . 0.0 111.909 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.482 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 13.2 t -41.94 142.71 0.65 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.325 0.25 . . . . 0.0 111.547 -178.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.7 mt -41.51 -42.45 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.009 0.924 . . . . 0.0 112.591 -171.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -53.76 -36.74 30.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.718 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.01 84.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.746 0.308 . . . . 0.0 110.92 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 13.6 ttp85 -67.35 -34.91 78.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.068 0.461 . . . . 0.0 110.251 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 15' ' ' VAL . 17.7 m -64.37 -44.67 90.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.322 175.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -60.27 -36.97 79.04 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -58.15 -44.69 88.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.112 0.482 . . . . 0.0 110.371 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.439 ' HA ' ' HB3' ' A' ' 17' ' ' ARG . 34.6 m-80 -73.41 -18.69 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.736 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 11' ' ' SER . 96.3 t -67.43 -38.13 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.049 0.452 . . . . 0.0 109.881 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.778 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 30.7 t -78.72 -26.65 44.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.674 0.75 . . . . 0.0 110.169 176.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.439 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 22.0 tpt180 -76.98 -7.17 55.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.287 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.639 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 43.6 tp -77.47 -52.99 1.65 Allowed Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.886 -177.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.639 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 12.6 Cg_exo -70.97 -36.44 7.6 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.924 1.749 . . . . 0.0 112.053 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.58 39.43 0.62 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.735 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.778 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 26.0 m -92.16 142.52 26.32 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.603 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 78.1 Cg_exo -35.38 123.23 0.23 Allowed 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.68 2.92 . . . . 0.0 113.67 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.02 -45.34 85.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.126 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.37 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.975 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.2 tt -58.23 -59.09 5.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.212 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 29' ' ' TYR . 67.4 m -75.07 -19.12 60.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.268 -175.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.09 -45.92 75.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.218 0.532 . . . . 0.0 109.687 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -69.24 -31.07 69.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.105 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.414 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 81.4 t80 -70.89 -28.24 64.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.555 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -96.05 -3.16 45.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.752 0.31 . . . . 0.0 111.456 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.49 26.17 61.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.409 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.4 t -98.69 158.45 15.61 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.5 pt -122.93 137.18 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.235 0.54 . . . . 0.0 110.792 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.651 HG12 HG23 ' A' ' 2' ' ' THR . 73.7 mt -117.48 97.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.0 pt -107.09 154.31 40.47 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.757 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -77.1 -7.7 17.33 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.508 2.139 . . . . 0.0 112.274 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.1 -179.12 24.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.452 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.13 -7.56 19.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.684 -0.304 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 m -72.72 81.65 1.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.241 0.543 . . . . 0.0 111.025 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 77.2 m -109.01 132.12 21.38 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.065 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.95 151.11 80.28 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.719 2.279 . . . . 0.0 111.546 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.7 -26.8 63.06 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 121.308 -0.472 . . . . 0.0 112.36 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.95 -22.13 65.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.192 0.52 . . . . 0.0 110.396 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -108.14 24.43 13.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.623 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.62 100.23 7.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.741 0.305 . . . . 0.0 111.059 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.482 ' OD1' ' HA ' ' A' ' 6' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.217 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.755 ' HB ' HG23 ' A' ' 35' ' ' ILE . 7.3 m . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.3 m -129.67 136.61 49.93 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 122.326 -0.233 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m -124.53 122.69 38.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.008 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.519 ' SG ' ' HB1' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -127.79 147.7 63.95 Favored Pre-proline 0 C--N 1.317 -0.827 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.318 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -69.44 148.49 67.24 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.695 1.597 . . . . 0.0 112.895 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t 45.38 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.427 -1.261 . . . . 0.0 111.513 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.745 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 47.6 mt -91.06 -23.04 6.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 t -55.91 -45.76 80.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.484 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.519 ' HB1' ' SG ' ' A' ' 4' ' ' CYS . . . -65.91 -40.31 91.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.375 -175.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 17.8 ttm180 -66.97 -39.86 87.33 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' HG23 ' A' ' 15' ' ' VAL . 37.5 t -56.88 -50.77 71.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.978 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -67.73 -32.84 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -60.22 -51.66 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.588 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.79 -41.78 99.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.937 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.519 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 77.4 t -61.62 -42.82 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.215 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.57 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 36.9 t -63.49 -40.31 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.429 . . . . 0.0 111.25 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -75.54 -20.54 58.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 54.5 tp -58.89 -51.5 81.41 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 -175.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.57 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 23.3 Cg_exo -65.83 -12.28 34.53 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.123 1.882 . . . . 0.0 112.934 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.03 5.35 15.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.642 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -66.8 134.74 94.15 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.578 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 88.7 Cg_exo -47.85 133.08 22.39 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.167 2.578 . . . . 0.0 113.04 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -58.83 -43.77 90.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.902 -177.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.45 84.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.9 tt -63.3 -50.23 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.995 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.9 m -62.84 -37.06 85.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.72 95.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.699 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.8 m -70.8 -32.13 69.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.711 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -72.25 -39.71 68.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.104 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.7 p -82.81 -37.32 24.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 0.0 111.107 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.97 36.55 2.15 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.768 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 66.3 m -92.96 147.4 22.87 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.57 138.24 30.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 110.289 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.0 mt -96.57 113.84 31.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.508 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.755 HG23 ' HB ' ' A' ' 1' ' ' THR . 4.6 tt -112.7 124.84 30.97 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.894 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 16.1 Cg_exo -70.07 -14.64 35.34 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 123.125 2.55 . . . . 0.0 112.269 177.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.481 ' H ' HG12 ' A' ' 35' ' ' ILE . . . -106.66 -168.46 22.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.131 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.08 1.71 11.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.764 0.316 . . . . 0.0 111.435 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.73 98.11 6.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.497 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -134.6 132.49 20.76 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.24 141.38 31.49 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.422 2.748 . . . . 0.0 113.028 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.47 51.47 2.58 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.718 -178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -171.08 -35.66 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -92.49 -11.5 34.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.187 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.65 87.9 3.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.677 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.745 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 2.1 t30 . . . . . 0 C--O 1.244 0.765 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 t -135.66 149.37 49.27 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.312 0.577 . . . . 0.0 111.912 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 18.9 m -132.72 114.16 13.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.64 175.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.9 m -105.3 152.15 39.78 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.299 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.575 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 51.4 Cg_exo -59.28 -131.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.481 0.739 0 C-N-CA 123.576 2.851 . . . . 0.0 113.199 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -56.36 161.63 2.48 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 121.983 -0.448 . . . . 0.0 110.729 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.665 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 63.7 mt -47.91 -38.2 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.735 -175.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.74 -44.93 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.794 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.12 85.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.978 0.418 . . . . 0.0 110.796 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -65.4 -38.18 89.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.138 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 15' ' ' VAL . 20.3 t -63.86 -50.42 68.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.951 177.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.03 -41.1 74.44 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.693 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -57.37 -50.25 73.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.757 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -71.57 -32.14 67.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.718 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 11' ' ' SER . 95.2 t -67.24 -40.54 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.098 0.475 . . . . 0.0 109.973 175.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.513 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 50.6 t -69.69 -34.31 73.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.988 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.545 ' HD3' ' HA ' ' A' ' 23' ' ' GLU . 19.0 mmm180 -81.4 2.07 30.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.446 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.558 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 2.0 tm? -77.7 -53.36 1.53 Allowed Pre-proline 0 CA--C 1.539 0.536 0 CA-C-O 119.481 -0.295 . . . . 0.0 111.025 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 14.7 Cg_exo -69.67 -23.82 30.79 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.03 1.82 . . . . 0.0 112.377 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.55 6.0 6.87 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.297 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.479 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 5.4 m -65.87 129.29 94.26 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 21' ' ' THR . 51.2 Cg_exo -54.68 145.77 58.13 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.44 2.76 . . . . 0.0 113.124 -175.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HA ' ' HD3' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -66.28 -29.94 70.27 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.415 -175.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.49 77.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.058 0.456 . . . . 0.0 110.19 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.01 -55.12 36.62 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.273 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.1 m -55.68 -48.13 75.59 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.929 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.29 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.967 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -60.82 -31.73 71.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.077 0.465 . . . . 0.0 111.28 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -75.46 -38.51 59.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.282 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -93.21 -15.63 25.71 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.794 0.331 . . . . 0.0 111.422 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.69 32.88 5.78 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.5 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.8 t -108.24 155.47 20.44 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.6 pt -112.49 143.58 21.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.238 0.542 . . . . 0.0 112.159 -175.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.6 mt -104.87 121.98 57.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.551 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.497 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 2.6 pt -142.1 166.28 22.37 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.607 -172.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.497 ' HD2' ' HB ' ' A' ' 35' ' ' ILE . 32.3 Cg_endo -66.0 -49.62 2.02 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.399 176.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.24 173.96 18.85 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.845 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 75.73 -41.22 0.43 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.942 0.897 . . . . 0.0 111.053 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.495 ' O ' HD12 ' A' ' 35' ' ' ILE . 38.5 m -86.75 107.6 18.32 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.4 176.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 t -152.35 101.76 2.77 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.534 ' HB2' ' HD2' ' A' ' 44' ' ' TYR . 31.3 Cg_exo -60.35 156.95 38.02 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.79 2.326 . . . . 0.0 112.028 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.43 -36.42 92.51 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.099 -175.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.575 ' O ' ' HA ' ' A' ' 5' ' ' PRO . 10.2 p-10 -86.79 2.28 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.534 ' HD2' ' HB2' ' A' ' 41' ' ' PRO . 87.2 m-85 -121.29 14.62 11.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.75 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.91 86.57 3.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.871 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.665 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 4.3 t30 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.591 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.01 0.433 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.528 HG22 ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -131.4 144.14 50.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.318 -172.638 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 m -130.33 122.28 27.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 88.1 m -102.56 155.22 36.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.073 0.463 . . . . 0.0 111.627 -172.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 32' ' ' CYS . 22.7 Cg_exo -67.88 -76.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.885 2.39 . . . . 0.0 113.041 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -91.31 150.67 21.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.234 -177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 50.4 mt -57.95 -46.3 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -177.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.51 -38.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.23 -4.08 30.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.508 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 26.7 ttt-85 -94.6 -44.29 7.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.931 175.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 15' ' ' VAL . 35.9 m -64.87 -44.47 89.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.49 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -70.0 -26.64 64.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.91 0.386 . . . . 0.0 110.216 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HB2' HG21 ' A' ' 30' ' ' THR . 75.7 t80 -65.78 -45.11 83.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.993 173.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.9 -35.6 80.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.976 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 11' ' ' SER . 58.9 t -67.2 -38.14 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 110.197 176.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 46.0 t -68.9 -24.71 64.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.389 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -82.3 -10.02 59.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.868 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -69.87 -51.79 14.51 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.983 -179.014 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.563 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 4.1 Cg_exo -75.23 -171.51 1.02 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.024 1.816 . . . . 0.0 111.49 176.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.62 47.49 3.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.499 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -100.33 125.67 38.7 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.86 147.34 81.81 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.01 2.473 . . . . 0.0 112.939 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -54.23 -47.66 71.96 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.603 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -43.85 83.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.61 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.27 -53.58 56.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.277 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -66.1 -35.85 81.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.341 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.46 86.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.224 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 m -61.57 -46.71 88.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.129 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -65.77 -31.62 72.71 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.739 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.448 HG21 ' HB2' ' A' ' 13' ' ' PHE . 19.6 p -89.58 -14.9 34.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.782 0.325 . . . . 0.0 111.799 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.46 13.97 80.84 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -173.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.539 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 15.0 t -81.56 156.84 25.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 pt -119.72 137.58 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.187 0.518 . . . . 0.0 111.707 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.0 mt -89.88 125.9 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.591 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 pt -94.47 133.21 27.35 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.101 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -76.4 -6.66 17.31 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.764 2.309 . . . . 0.0 112.096 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.37 -173.1 45.98 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.112 -0.565 . . . . 0.0 112.015 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.7 -36.05 10.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.914 0.387 . . . . 0.0 110.923 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.1 t -115.6 153.18 31.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.023 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.8 t -89.21 141.1 28.94 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.165 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.25 167.49 7.6 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.05 2.5 . . . . 0.0 112.335 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.06 -37.3 8.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.278 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.51 -35.49 80.63 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.538 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -110.82 27.11 9.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.913 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.81 100.27 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.486 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.597 ' HB3' ' O ' ' A' ' 4' ' ' CYS . 27.8 t-20 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.97 -1.014 . . . . 0.0 108.494 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.08 0.467 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.427 HG22 ' SG ' ' A' ' 32' ' ' CYS . 6.3 m -116.05 125.57 52.61 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.132 -176.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.9 m -124.93 113.22 17.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.068 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.8 m -101.33 152.71 38.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.181 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 44' ' ' TYR . 16.2 Cg_exo -69.91 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.763 2.309 . . . . 0.0 112.527 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -70.74 149.08 47.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.353 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.555 HG12 ' ND2' ' A' ' 46' ' ' ASN . 51.2 mt -61.62 -43.01 96.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.182 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.49 -29.56 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.56 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.76 96.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.315 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -65.67 -41.1 92.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.71 0.29 . . . . 0.0 110.506 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.504 ' O ' HG23 ' A' ' 15' ' ' VAL . 13.6 m -57.96 -48.72 79.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.04 -37.32 87.0 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.1 0.476 . . . . 0.0 110.39 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -61.83 -38.72 89.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.322 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.09 -32.47 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 11' ' ' SER . 88.9 t -66.86 -35.04 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.076 0.465 . . . . 0.0 110.197 175.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.732 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 6.7 t -61.64 -45.96 91.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.509 . . . . 0.0 111.238 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.976 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 68.5 mtp180 -85.26 10.35 12.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.475 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.535 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 6.4 tt -76.31 -56.71 1.49 Allowed Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.23 177.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 39.4 Cg_endo -69.49 -51.25 0.42 Allowed 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 121.358 1.372 . . . . 0.0 111.671 175.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.92 55.03 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.3 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.732 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 8.0 m -111.3 134.48 21.12 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.91 143.35 82.38 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.144 2.562 . . . . 0.0 113.515 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.976 ' HG2' ' HD2' ' A' ' 17' ' ' ARG . 41.9 mt-10 -55.58 -58.15 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.722 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.08 -37.83 67.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.639 -174.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.68 -52.8 63.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.899 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.5 m -81.59 -25.4 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.937 -175.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.56 95.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.94 0.4 . . . . 0.0 110.325 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.2 m -72.88 -26.23 61.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.879 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.25 -30.65 18.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.938 0.399 . . . . 0.0 111.789 -175.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -102.93 -22.15 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.423 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.99 84.63 1.74 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.939 -177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.427 ' SG ' HG22 ' A' ' 2' ' ' THR . 35.2 t -164.92 154.45 13.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.7 pt -117.21 141.77 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.042 0.449 . . . . 0.0 111.479 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.415 HG12 HG23 ' A' ' 2' ' ' THR . 59.3 mt -115.19 121.74 67.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.819 176.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.2 pt -131.69 152.79 80.99 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.773 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -88.19 9.86 3.6 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.788 2.325 . . . . 0.0 111.853 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.66 -142.88 6.55 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.502 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.75 -42.98 0.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.7 m -86.11 102.12 13.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.125 0.488 . . . . 0.0 112.007 -173.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 94.5 m -107.73 117.98 54.19 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 170.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.64 144.14 99.5 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.594 2.196 . . . . 0.0 111.441 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.04 -12.66 37.8 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.333 -0.46 . . . . 0.0 112.91 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.2 -24.84 64.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.746 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 5' ' ' PRO . 4.4 t80 -142.53 22.78 1.99 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.738 -173.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . . . -125.85 92.46 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.715 -0.394 . . . . 0.0 112.045 -175.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.555 ' ND2' HG12 ' A' ' 7' ' ' ILE . 28.8 t-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.325 -0.845 . . . . 0.0 108.916 169.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.473 0.714 0 CA-C-O 120.967 0.413 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.537 HG22 ' SG ' ' A' ' 32' ' ' CYS . 5.3 m -99.13 122.52 42.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.615 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.6 m -122.41 110.27 15.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.191 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 58.7 m -98.99 146.97 32.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.828 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.64 -75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.255 2.637 . . . . 0.0 113.622 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -92.48 163.11 13.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.381 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.83 HG12 HD21 ' A' ' 46' ' ' ASN . 51.8 mt -57.28 -53.54 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-O 121.222 0.534 . . . . 0.0 110.6 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -56.79 -29.92 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.608 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.82 91.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.419 . . . . 0.0 110.368 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.558 ' HD2' ' OXT' ' A' ' 46' ' ' ASN . 61.8 ttt180 -76.22 -33.54 59.23 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.349 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.0 m -58.51 -53.73 55.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 175.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -60.28 -34.39 73.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.249 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -58.23 -49.29 77.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.833 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -70.48 -39.85 73.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.944 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 11' ' ' SER . 86.1 t -65.19 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.696 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.566 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 39.5 t -70.11 -37.91 75.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.197 178.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -80.83 -8.82 59.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -63.0 -51.5 70.33 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -178.378 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.566 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 2.8 Cg_exo -78.01 -162.05 0.16 Allowed 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.303 2.002 . . . . 0.0 111.787 174.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.92 67.88 3.51 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.541 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -128.4 131.29 23.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 120.599 0.238 . . . . 0.0 110.415 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HG2' ' HB3' ' A' ' 25' ' ' LEU . 12.6 Cg_endo -57.95 134.91 65.43 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.09 2.526 . . . . 0.0 112.766 178.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.2 mp0 -57.67 -44.57 85.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.785 -178.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.19 82.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.275 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.456 ' HB3' ' HG2' ' A' ' 22' ' ' PRO . 34.6 tp -68.63 -43.22 76.78 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.455 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.55 -36.75 85.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.724 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.52 73.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.007 0.432 . . . . 0.0 110.521 177.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.8 m -61.09 -39.48 90.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.916 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -68.44 -28.19 66.84 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.722 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -97.9 -16.38 19.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.923 0.392 . . . . 0.0 111.724 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.75 17.94 62.63 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -175.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.537 ' SG ' HG22 ' A' ' 2' ' ' THR . 26.5 t -89.45 157.72 18.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.5 pt -120.48 145.55 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.063 0.459 . . . . 0.0 111.589 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.5 mt -114.41 97.86 6.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.175 174.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.0 pt -98.89 149.76 36.05 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.731 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.24 -10.45 29.0 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.012 2.475 . . . . 0.0 112.295 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.8 160.7 54.16 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.57 -2.58 32.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.898 0.38 . . . . 0.0 111.304 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.6 t -129.5 148.93 51.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.369 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.9 m -93.7 137.41 23.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.489 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.63 166.66 26.68 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.916 2.41 . . . . 0.0 112.322 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.26 -7.76 68.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.884 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.88 -45.47 94.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -163.7 124.72 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.667 169.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.26 93.39 3.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.332 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.83 HD21 HG12 ' A' ' 7' ' ' ILE . 19.0 t-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.63 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 110.604 -0.146 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.732 HG23 HG12 ' A' ' 34' ' ' ILE . 6.2 m -98.64 112.08 24.24 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.51 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 64.0 m -137.17 123.29 20.39 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.223 0.535 . . . . 0.0 110.472 -173.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 m -103.14 153.53 38.29 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.39 -175.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.55 -73.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.465 2.777 . . . . 0.0 113.696 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -125.58 -176.91 3.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.74 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.764 ' H ' HD12 ' A' ' 7' ' ' ILE . 4.7 mp -57.32 -40.62 75.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.075 0.464 . . . . 0.0 110.834 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.17 -42.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.248 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.94 84.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.079 0.466 . . . . 0.0 110.503 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.4 -41.97 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.135 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.5 t -62.18 -43.66 98.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.375 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -57.95 -47.36 83.14 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.987 0.422 . . . . 0.0 110.665 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.94 -42.28 89.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.637 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -68.48 -47.73 66.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.664 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 11' ' ' SER . 91.3 t -65.85 -43.14 93.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.687 0.279 . . . . 0.0 111.173 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.91 -43.8 94.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.781 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 65.3 ttp85 -90.07 1.58 56.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.749 0.309 . . . . 0.0 111.342 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 23.8 tp -56.22 -50.88 84.96 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.872 -176.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 32.5 Cg_endo -66.3 -46.81 3.8 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.66 1.573 . . . . 0.0 112.266 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.1 65.02 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.654 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.664 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 5.3 m -112.8 139.56 22.98 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.29 127.68 9.28 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.221 2.614 . . . . 0.0 112.234 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.781 ' HG2' ' HD3' ' A' ' 17' ' ' ARG . 38.2 mt-10 -60.9 -41.4 96.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.955 -172.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -34.64 73.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.928 0.394 . . . . 0.0 111.198 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.34 -51.26 46.4 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.787 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.6 m -65.19 -36.69 84.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.35 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -56.94 12.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.518 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.1 m -57.44 -35.43 70.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -58.08 -38.49 76.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.144 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.6 t -104.66 0.59 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.895 0.379 . . . . 0.0 111.652 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.8 19.35 58.1 Favored Glycine 0 C--O 1.234 0.127 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.148 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.9 t -90.21 147.43 23.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 pt -117.16 137.38 51.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.347 0.594 . . . . 0.0 111.983 -174.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.732 HG12 HG23 ' A' ' 2' ' ' THR . 65.5 mt -109.27 100.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.048 172.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.5 pt -90.72 151.55 43.89 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.337 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -72.38 1.29 6.3 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.894 2.396 . . . . 0.0 112.402 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -106.22 174.65 20.69 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.79 -48.5 6.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.763 0.316 . . . . 0.0 111.347 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.1 m -90.91 125.89 35.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.871 -174.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.4 m -105.27 160.39 26.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.546 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.57 126.59 20.27 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.215 1.943 . . . . 0.0 111.067 172.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.35 -31.42 59.62 Favored Glycine 0 C--N 1.33 0.203 0 O-C-N 123.215 0.322 . . . . 0.0 113.425 -175.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.68 -25.97 66.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 0.0 111.46 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -118.23 20.34 13.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.408 0.623 . . . . 0.0 109.723 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -117.23 87.28 2.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.884 -176.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 . . . . . 0 C--N 1.316 -0.851 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.012 170.465 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -100.04 139.07 36.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.269 0.557 . . . . 0.0 110.369 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -127.24 105.32 8.47 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.735 -175.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.6 m -97.55 148.57 34.62 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -172.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.721 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 42.7 Cg_exo -43.18 -67.08 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 124.518 3.478 . . . . 0.0 114.612 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 t -120.64 165.83 14.51 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.259 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.733 HD13 ' HB3' ' A' ' 46' ' ' ASN . 26.4 mm -54.05 -42.27 54.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.979 0.419 . . . . 0.0 110.112 175.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.15 -38.05 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.774 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.13 82.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.609 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -74.61 -35.07 62.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 m -62.28 -45.86 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.606 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.02 -32.71 74.14 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.991 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -58.77 -31.79 68.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.173 0.511 . . . . 0.0 110.263 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -83.52 -44.73 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.779 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.41 -34.84 66.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.292 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.75 -31.29 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 0.0 111.083 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -90.41 2.88 55.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.824 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 34.5 tp -69.17 -49.18 25.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.371 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 92.7 Cg_endo -81.43 -163.29 0.22 Allowed 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.879 1.719 . . . . 0.0 111.33 169.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.88 73.25 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.916 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -132.5 130.47 21.81 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.93 149.58 89.64 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 123.257 2.638 . . . . 0.0 113.534 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.74 -53.59 56.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.459 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -36.19 75.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.199 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.44 -52.54 61.04 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.831 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.9 m -58.74 -42.33 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.746 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -54.32 47.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.113 0.482 . . . . 0.0 110.8 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -62.76 -37.28 85.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.113 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -68.13 -35.87 78.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.605 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p -84.52 -13.0 53.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.96 0.409 . . . . 0.0 111.465 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.75 18.04 52.57 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 41.4 t -92.71 141.02 28.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.41 137.08 43.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.002 0.43 . . . . 0.0 111.209 -175.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.8 mt -105.87 117.45 51.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.554 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 pt -119.14 134.51 23.67 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.037 0.446 . . . . 0.0 111.143 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -75.31 68.26 6.03 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.815 2.344 . . . . 0.0 110.91 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.92 -173.13 19.37 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.231 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.13 0.97 10.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.201 0.5 . . . . 0.0 111.196 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.4 m -141.28 125.0 16.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.415 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.4 m -81.91 159.1 66.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.075 -178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.9 147.04 92.17 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.475 2.117 . . . . 0.0 111.194 172.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -21.83 62.7 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.547 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.09 -39.73 75.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.963 0.411 . . . . 0.0 110.755 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.721 ' CD1' ' HA ' ' A' ' 5' ' ' PRO . 26.0 m-85 -126.51 84.8 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.49 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.36 87.42 2.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.034 0.445 . . . . 0.0 111.004 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.733 ' HB3' HD13 ' A' ' 7' ' ' ILE . 48.1 m-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.139 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 120.846 0.355 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.439 HG23 HG12 ' A' ' 34' ' ' ILE . 4.7 m -88.43 120.17 29.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.851 178.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -117.65 95.7 5.06 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.243 0.544 . . . . 0.0 110.496 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.4 m -97.64 156.04 36.53 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.886 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.543 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 31.5 Cg_exo -62.65 -134.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.199 2.599 . . . . 0.0 112.476 175.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -68.72 179.55 1.72 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.348 0.594 . . . . 0.0 111.552 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.48 -45.81 85.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.194 -173.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.76 -41.32 79.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.727 0.298 . . . . 0.0 110.947 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.08 94.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.857 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -59.94 -42.33 93.79 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.044 0.449 . . . . 0.0 110.467 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 15' ' ' VAL . 45.2 t -61.46 -53.15 60.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.428 178.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -59.88 -36.25 76.53 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.09 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.87 -47.37 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -68.82 -41.29 78.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.547 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 11' ' ' SER . 92.4 t -63.06 -38.3 81.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.993 0.425 . . . . 0.0 110.459 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.535 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.2 t -73.04 -29.36 62.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.52 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -80.39 -8.01 59.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.343 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.8 tt -75.98 -51.65 2.8 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.061 -178.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.563 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 16.8 Cg_exo -69.1 179.46 3.32 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.446 2.097 . . . . 0.0 112.495 177.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.57 73.54 2.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.61 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 t -136.1 146.25 55.7 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.78 135.39 69.29 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.037 2.491 . . . . 0.0 113.009 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -34.87 77.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.56 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.11 -37.23 74.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.105 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.8 tp -69.05 -47.81 64.43 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.38 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.3 m -64.31 -35.84 82.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.977 0.418 . . . . 0.0 110.775 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.27 69.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.355 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.3 m -60.6 -43.31 97.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -62.58 -36.6 83.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.668 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.1 p -89.19 -24.11 22.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.907 0.384 . . . . 0.0 111.826 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.78 18.81 39.33 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.9 t -92.84 143.02 26.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.399 . . . . 0.0 110.062 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.0 pt -123.38 148.09 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.465 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.439 HG12 HG23 ' A' ' 2' ' ' THR . 77.6 mt -116.67 105.79 18.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.038 0.447 . . . . 0.0 110.379 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 26.7 pt -92.95 141.51 24.25 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.626 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 13.2 Cg_exo -70.7 -29.84 18.82 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.838 2.359 . . . . 0.0 112.877 -177.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -142.01 158.75 26.86 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.811 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 37' ' ' GLY . . . 78.84 153.49 0.13 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.915 0.886 . . . . 0.0 110.833 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -83.72 172.93 11.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.831 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 61.4 m -83.86 153.12 63.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.456 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.67 149.16 92.08 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.546 2.164 . . . . 0.0 111.433 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.42 -31.81 75.42 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.981 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -94.84 9.37 39.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.833 0.349 . . . . 0.0 110.623 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -140.95 29.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.262 0.553 . . . . 0.0 109.725 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . . . -132.3 87.26 2.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.926 178.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.543 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.97 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.557 ' O ' HG12 ' A' ' 35' ' ' ILE . 13.2 m . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.047 0.451 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 m -93.33 136.04 33.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.6 m -139.58 122.93 17.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.849 0.357 . . . . 0.0 110.694 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 72.4 m -111.1 147.24 36.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -173.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HB2' ' H ' ' A' ' 6' ' ' SER . 52.3 Cg_exo -56.79 -74.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.305 2.67 . . . . 0.0 113.372 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 31.4 t -77.26 147.16 36.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.049 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.704 ' H ' HD12 ' A' ' 7' ' ' ILE . 4.5 mp -61.36 -37.01 76.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.67 -35.4 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.707 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.68 77.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.528 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 7' ' ' ILE . 17.8 tpp180 -58.64 -42.47 88.4 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.268 175.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.453 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.9 t -69.08 -48.13 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.47 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.08 -36.61 75.41 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.556 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.87 -45.28 92.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.978 0.418 . . . . 0.0 110.933 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -74.8 -18.48 60.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.297 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 11' ' ' SER . 92.7 t -79.18 -38.49 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.96 0.409 . . . . 0.0 110.093 174.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 51.1 t -69.99 -41.39 74.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.117 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -84.03 0.23 49.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.16 0.505 . . . . 0.0 110.777 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.548 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 40.3 tp -70.27 -50.17 16.0 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 -175.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 13.9 Cg_exo -71.61 0.26 7.23 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.342 2.028 . . . . 0.0 112.855 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.32 9.33 31.75 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -73.38 129.25 86.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -49.34 136.09 31.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.34 2.693 . . . . 0.0 113.462 -176.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -65.99 -40.03 90.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.674 -176.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.92 78.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.091 0.472 . . . . 0.0 110.906 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.27 -45.8 62.33 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.21 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.5 m -64.55 -37.34 87.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.248 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.63 89.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.065 0.459 . . . . 0.0 110.334 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.1 m -69.69 -33.21 72.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.78 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -74.84 -43.33 55.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.042 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -98.0 -1.31 42.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.918 0.389 . . . . 0.0 111.61 -169.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.12 68.17 1.52 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.256 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.1 t -148.47 158.62 44.23 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.6 pt -120.84 143.16 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.08 0.466 . . . . 0.0 111.79 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.8 mt -117.12 121.49 67.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.376 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 1' ' ' THR . 30.4 pt -74.14 150.96 88.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.949 0.404 . . . . 0.0 111.83 -175.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 2.2 Cg_endo -81.87 -3.28 11.7 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 123.18 2.587 . . . . 0.0 112.295 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.2 173.88 32.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.269 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 68.42 -101.52 0.05 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 124.426 1.09 . . . . 0.0 111.411 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -173.35 163.53 4.53 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.603 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 79.0 m -81.35 145.34 55.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.645 0.26 . . . . 0.0 110.437 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 14.1 Cg_exo -70.75 157.31 58.82 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.734 2.29 . . . . 0.0 111.462 174.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.16 -20.94 63.42 Favored Glycine 0 C--O 1.235 0.187 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.338 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.37 -30.88 70.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 110.914 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.65 78.78 1.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.094 0.474 . . . . 0.0 110.543 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.27 105.19 7.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.103 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.588 ' HB3' ' O ' ' A' ' 4' ' ' CYS . 58.9 t30 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.118 -175.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 13.8 t -120.87 137.41 54.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.526 0.679 . . . . 0.0 111.599 -178.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.8 m -130.03 139.84 50.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.468 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.0 m -116.51 173.31 3.14 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.577 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.05 -152.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.489 2.126 . . . . 0.0 110.54 165.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -45.36 149.71 0.51 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 122.668 0.387 . . . . 0.0 111.71 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm -49.51 -33.66 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.104 0.562 . . . . 0.0 112.502 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -55.14 -30.54 24.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 121.212 0.529 . . . . 0.0 111.464 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.71 70.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.029 -0.419 . . . . 0.0 110.909 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -70.21 -38.66 75.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.726 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.6 p -63.25 -41.26 99.05 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.495 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -62.14 -40.37 95.73 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.291 174.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.728 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 82.1 t80 -60.41 -39.08 86.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.311 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -41.5 78.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.533 177.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 11' ' ' SER . 88.2 t -61.64 -39.39 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.348 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.813 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -52.38 -47.8 65.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.006 0.431 . . . . 0.0 111.545 175.107 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -88.55 5.04 44.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.794 -172.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.651 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 9.3 tt -72.39 -51.98 7.17 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.74 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.2 Cg_exo -76.16 -36.08 2.06 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.83 1.687 . . . . 0.0 111.617 176.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.62 81.57 0.22 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.189 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.813 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 2.2 m -135.09 138.51 29.46 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.628 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 88.7 Cg_exo -49.04 131.02 25.07 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 123.328 2.685 . . . . 0.0 113.977 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.728 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 34.6 tt0 -55.19 -55.4 31.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.086 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.09 79.24 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.577 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.628 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.5 tt -56.93 -59.32 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.177 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.7 m -69.15 -36.61 77.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.974 -175.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.93 67.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.287 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.7 m -65.96 -32.55 74.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.139 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -72.68 -39.36 67.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.449 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -90.83 -22.08 21.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 -171.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.05 22.84 6.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.705 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 69.2 m -96.11 137.97 34.41 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 2' ' ' THR . 34.1 pt -99.19 138.85 22.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.509 -178.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -112.72 104.4 16.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.224 0.535 . . . . 0.0 110.169 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.1 pt -107.06 149.03 38.11 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.464 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -52.03 -35.67 62.28 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.368 2.712 . . . . 0.0 113.317 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.92 125.85 0.86 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.89 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 170.54 150.89 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 t -78.0 133.54 37.97 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.4 m -82.09 143.06 48.59 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.312 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.69 147.42 95.38 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.59 2.194 . . . . 0.0 110.978 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.58 -28.01 43.91 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.572 -0.347 . . . . 0.0 112.924 -176.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -55.3 -39.25 69.68 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.887 0.475 . . . . 0.0 111.718 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -127.94 15.5 6.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.027 0.442 . . . . 0.0 110.871 -175.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.91 85.87 7.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.174 0.511 . . . . 0.0 109.99 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.967 179.816 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.0 0.429 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 m -114.07 113.34 24.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 57.0 m -120.2 130.71 54.67 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.644 -172.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.419 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 85.0 m -101.91 172.45 4.38 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.981 -174.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 4' ' ' CYS . 36.9 Cg_exo -61.63 -165.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.662 2.241 . . . . 0.0 111.438 169.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -56.01 164.56 1.18 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.156 0.503 . . . . 0.0 111.532 -175.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.4 mt -44.07 -45.38 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 114.855 -1.066 . . . . 0.0 113.253 -169.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -51.49 -52.71 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.45 71.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.257 0.551 . . . . 0.0 110.54 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 3.4 tmt_? -66.22 -35.26 79.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.951 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 36.7 m -65.91 -44.98 83.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.448 175.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -62.86 -31.66 72.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.9 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -58.16 -49.98 75.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.497 173.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -64.52 -38.48 91.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.066 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' SER . 73.6 t -66.23 -32.33 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.732 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.538 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.5 t -64.82 -38.99 92.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.362 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 21' ' ' THR . 74.4 ttt180 -86.16 -3.17 58.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.088 0.47 . . . . 0.0 110.912 -177.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 5.7 tt -63.34 -50.05 76.15 Favored Pre-proline 0 CA--C 1.541 0.604 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.79 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 7.3 Cg_exo -74.85 15.31 0.72 Allowed 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.294 1.996 . . . . 0.0 112.796 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.32 39.98 11.88 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.882 176.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.462 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 58.5 m -99.27 132.98 22.42 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.568 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 81.7 Cg_exo -45.38 140.39 8.4 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.723 2.948 . . . . 0.0 114.038 -176.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -47.47 85.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.909 -176.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.36 94.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.073 0.463 . . . . 0.0 110.925 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.5 tt -58.11 -55.19 38.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.896 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.8 m -62.99 -38.28 90.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.352 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.87 80.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 110.822 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.0 m -68.94 -31.32 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -72.3 -34.99 68.55 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.226 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 p -88.3 -36.37 16.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.879 0.371 . . . . 0.0 111.397 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.64 30.77 2.3 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.395 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.6 m -85.9 147.2 26.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.0 pt -107.99 138.35 34.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.098 0.475 . . . . 0.0 111.205 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.2 mp -97.25 137.25 25.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.701 176.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 42.9 pt -122.81 133.44 24.46 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-O 120.771 0.32 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 6.5 Cg_exo -75.55 -13.05 20.43 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.824 2.349 . . . . 0.0 111.746 174.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.56 -159.42 31.01 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' HB ' ' A' ' 39' ' ' THR . . . 73.44 -16.01 0.52 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.748 0.819 . . . . 0.0 112.735 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 55.2 m 67.94 145.68 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.454 0.645 . . . . 0.0 112.358 177.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 65.7 m -81.57 140.27 47.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.446 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 21.3 Cg_exo -66.42 164.86 26.87 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.79 2.327 . . . . 0.0 111.524 175.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.04 -33.1 82.76 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.716 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.3 -46.52 83.1 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.284 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.439 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 51.5 m-85 -105.1 22.01 16.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.356 -177.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.8 85.44 6.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.315 0.579 . . . . 0.0 109.47 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.466 ' HB3' ' HG3' ' A' ' 10' ' ' ARG . 33.9 m-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.671 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.618 HG23 ' HA ' ' A' ' 38' ' ' ALA . 9.7 p . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 t -94.72 107.68 19.69 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 121.714 0.768 . . . . 0.0 109.031 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.4 m -131.2 129.3 41.49 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.437 -172.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.5 m -108.8 160.0 28.92 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.431 -173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -53.41 -64.87 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.022 2.481 . . . . 0.0 112.268 173.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -121.15 159.85 24.97 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 114.485 -1.234 . . . . 0.0 110.168 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.5 mm -57.92 -31.74 41.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.974 0.416 . . . . 0.0 110.772 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.0 t -53.51 -42.65 50.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.743 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.57 -35.26 75.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.804 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -66.47 -45.31 80.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.616 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 15' ' ' VAL . 48.0 m -64.99 -36.62 84.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.772 0.32 . . . . 0.0 110.25 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -60.37 -44.73 95.32 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -58.11 -43.21 87.05 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.822 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -62.62 -49.08 76.63 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.102 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 11' ' ' SER . 74.9 t -64.17 -37.42 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.079 0.466 . . . . 0.0 110.582 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.2 t -61.86 -45.27 94.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.803 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 23' ' ' GLU . 69.5 mtp180 -87.32 8.6 23.63 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 22.1 tp -58.88 -47.84 97.93 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.55 -178.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 83.5 Cg_endo -82.54 11.42 3.21 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.15 1.9 . . . . 0.0 113.001 175.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.48 36.97 7.74 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.962 178.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 m -76.61 137.41 67.08 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -45.44 136.44 11.74 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.274 2.649 . . . . 0.0 112.984 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 17' ' ' ARG . 1.5 pm0 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.461 -177.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.62 94.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.004 0.431 . . . . 0.0 110.591 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -57.64 -57.43 12.73 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.275 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.2 m -67.24 -35.49 79.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.679 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.42 99.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.557 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.0 m -71.2 -39.74 71.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.617 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -63.82 -35.35 80.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.5 p -87.67 -51.6 5.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.972 0.415 . . . . 0.0 111.71 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.02 21.84 3.38 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -173.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 68.9 m -94.98 138.9 32.1 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.1 pt -101.47 140.48 20.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.624 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.5 mt -111.34 100.67 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.134 0.492 . . . . 0.0 109.787 177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 1' ' ' THR . 25.5 pt -109.6 151.94 42.52 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.935 -177.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.99 -29.26 66.48 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.953 2.436 . . . . 0.0 112.661 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -81.26 142.88 23.42 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.11 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.618 ' HA ' HG23 ' A' ' 1' ' ' THR . . . -87.24 -15.72 37.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.024 0.44 . . . . 0.0 110.386 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 t -78.66 110.2 13.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.693 0.759 . . . . 0.0 111.587 -177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 92.6 m -122.14 122.8 27.45 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 171.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.28 152.21 77.82 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.481 2.121 . . . . 0.0 111.002 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.8 -22.46 33.75 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.257 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -56.9 -35.74 69.34 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 123.219 0.608 . . . . 0.0 111.714 176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -135.13 17.47 3.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.208 0.528 . . . . 0.0 110.813 -177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.93 85.82 5.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.042 0.448 . . . . 0.0 110.402 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 . . . . . 0 C--N 1.316 -0.887 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.158 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.3 m -115.37 126.15 54.05 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.758 0.313 . . . . 0.0 110.872 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.0 m -143.01 144.63 32.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.843 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 m -128.29 146.41 59.52 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.66 -171.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.488 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 7.9 Cg_exo -72.17 162.59 41.24 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.519 2.146 . . . . 0.0 110.73 172.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t 57.16 121.27 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.723 0.773 . . . . 0.0 112.787 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.3 mt -58.62 -33.55 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.865 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.48 -43.73 80.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.447 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.563 ' HA ' ' ND2' ' A' ' 12' ' ' ASN . . . -68.05 -44.77 75.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -64.29 -29.32 70.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 0.0 110.293 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 t -68.42 -55.6 11.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.474 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.563 ' ND2' ' HA ' ' A' ' 9' ' ' ALA . 9.4 p30 -70.03 -23.42 63.11 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.903 -177.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -55.1 -44.37 74.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.067 0.46 . . . . 0.0 110.232 172.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -72.44 -33.38 67.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.588 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.0 t -68.87 -28.01 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.205 0.526 . . . . 0.0 110.31 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.6 t -64.28 -35.23 80.15 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.554 176.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -87.2 -1.96 58.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -67.33 -52.12 30.51 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.743 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 22.9 Cg_exo -66.18 -24.4 51.55 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 122.047 1.832 . . . . 0.0 111.631 175.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.11 28.71 1.78 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.523 -0.846 . . . . 0.0 113.067 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -86.09 128.25 58.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.48 143.24 36.26 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.344 2.696 . . . . 0.0 113.242 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -37.47 76.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.452 -176.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.59 -53.66 53.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.791 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.24 -43.68 90.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.226 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -61.49 -37.02 82.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.687 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.571 ' HA ' ' HB3' ' A' ' 32' ' ' CYS . . . -64.43 -48.98 73.28 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.988 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 m -61.77 -33.26 73.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.031 0.443 . . . . 0.0 111.333 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -77.89 -27.8 49.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.383 -177.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.8 p -99.35 -24.84 14.68 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.77 14.59 36.71 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -175.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.571 ' HB3' ' HA ' ' A' ' 27' ' ' ALA . 49.7 t -76.44 152.26 36.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.182 -0.509 . . . . 0.0 110.259 -178.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.9 pt -116.77 138.92 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.388 0.613 . . . . 0.0 111.677 -176.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.8 mt -109.5 104.87 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.467 177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 pt -109.56 142.37 25.57 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.3 -175.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -74.7 -11.83 22.1 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.696 2.264 . . . . 0.0 112.079 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.77 149.17 49.37 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.06 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.21 -36.24 66.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.724 0.297 . . . . 0.0 111.358 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 m -119.05 140.28 50.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.415 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.8 m -82.05 144.63 51.42 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.446 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -58.86 142.05 98.65 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.492 2.128 . . . . 0.0 111.944 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.4 -25.29 40.85 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.963 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.18 -34.91 64.25 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.746 0.308 . . . . 0.0 111.409 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -116.01 26.04 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.142 0.496 . . . . 0.0 110.892 -173.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.8 86.82 6.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.039 -176.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 120.676 0.274 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.421 ' HA ' HD13 ' A' ' 34' ' ' ILE . 7.3 m -86.79 127.62 35.01 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.212 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -126.45 108.84 11.56 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.5 m -110.24 145.21 31.68 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.746 -0.207 . . . . 0.0 110.914 -174.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.616 ' HA ' ' HD1' ' A' ' 44' ' ' TYR . 82.5 Cg_exo -50.98 -69.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.502 2.801 . . . . 0.0 113.33 175.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -118.48 170.96 8.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.561 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.1 mt -64.39 -33.11 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.66 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.0 -39.37 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.509 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.51 90.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.771 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 39.7 ttm-85 -66.24 -35.98 81.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.766 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 15' ' ' VAL . 24.1 t -59.82 -49.89 75.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.138 178.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -70.0 -31.22 68.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.951 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.4 ' HB3' ' O ' ' A' ' 10' ' ' ARG . 64.5 t80 -55.18 -46.45 75.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.233 173.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -67.54 -35.52 79.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.076 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 11' ' ' SER . 83.9 t -62.42 -43.88 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.776 0.322 . . . . 0.0 110.481 177.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.587 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 33.8 t -67.63 -37.8 82.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.883 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.769 ' HE ' ' HG2' ' A' ' 23' ' ' GLU . 43.0 ttt-85 -83.54 2.17 38.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.866 -175.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.589 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 49.0 tp -77.28 -51.05 2.06 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.027 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 16.5 Cg_exo -69.37 -10.97 30.27 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 122.03 1.82 . . . . 0.0 112.756 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.84 35.73 2.33 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.783 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.678 ' HB ' ' SG ' ' A' ' 26' ' ' CYS . 1.9 m -90.94 134.79 29.6 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 176.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.749 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 76.3 Cg_exo -42.14 136.29 3.77 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 123.546 2.831 . . . . 0.0 113.697 -178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.769 ' HG2' ' HE ' ' A' ' 17' ' ' ARG . 29.6 mt-10 -56.77 -54.07 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.04 -175.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.74 -32.71 74.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.275 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.749 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -63.18 -54.89 30.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.298 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.678 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 87.6 m -58.58 -32.44 68.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 112.16 -177.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.03 -60.58 3.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.91 0.385 . . . . 0.0 110.585 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -65.75 -33.66 76.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.194 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -61.53 -36.6 81.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.232 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.6 m -100.69 -38.52 8.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.601 -172.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.51 63.09 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.768 -0.73 . . . . 0.0 111.782 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 47.9 t -152.66 149.59 28.58 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.1 pt -110.93 138.41 39.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.313 0.577 . . . . 0.0 111.884 -174.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 2' ' ' THR . 46.0 mm -102.19 139.45 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.097 175.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 46.7 pt -135.0 148.0 65.07 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.378 177.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 4.6 Cg_exo -78.23 10.96 2.51 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 123.009 2.472 . . . . 0.0 112.107 176.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.29 158.83 17.32 Favored Glycine 0 N--CA 1.443 -0.885 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -78.24 -45.18 23.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.741 0.305 . . . . 0.0 111.427 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.4 m -92.07 126.15 37.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.644 -174.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 83.7 m -87.84 142.21 32.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.276 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.69 141.8 98.0 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.302 2.001 . . . . 0.0 111.134 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.51 -23.08 60.02 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.963 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -64.4 -33.43 75.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.945 0.402 . . . . 0.0 110.481 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.616 ' HD1' ' HA ' ' A' ' 5' ' ' PRO . 53.2 m-85 -131.02 42.78 3.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.328 -176.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.48 85.48 2.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.198 0.523 . . . . 0.0 110.458 175.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.244 0.785 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.075 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.451 HG22 ' SG ' ' A' ' 3' ' ' CYS . 2.8 m . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.625 HG23 HG12 ' A' ' 34' ' ' ILE . 2.5 m -113.69 115.91 28.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.932 -177.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.785 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 24.7 m -133.84 128.59 35.0 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.363 -171.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.0 m -107.66 154.68 40.72 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.432 178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -48.05 -68.99 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.246 2.63 . . . . 0.0 112.48 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -118.8 168.42 10.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.385 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.7 mt -66.89 -27.71 40.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.962 0.411 . . . . 0.0 110.29 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.48 -35.91 66.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.227 0.537 . . . . 0.0 109.783 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.6 -36.64 76.4 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.409 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 ttm-85 -63.59 -41.03 98.37 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.5 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.627 ' HA ' HD21 ' A' ' 14' ' ' ASN . 49.4 m -61.04 -50.71 72.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.047 0.451 . . . . 0.0 110.233 175.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.417 HD22 HG23 ' A' ' 30' ' ' THR . 43.5 t30 -58.08 -36.16 72.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.648 178.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 85.1 t80 -59.33 -54.32 48.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.766 178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.627 HD21 ' HA ' ' A' ' 11' ' ' SER . 10.3 p30 -73.09 -27.41 61.7 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.091 -175.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 11' ' ' SER . 73.2 t -66.6 -37.13 78.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 174.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.555 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 37.9 t -67.38 -36.94 82.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.111 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -80.75 -13.54 58.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.937 -176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.552 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 55.1 tp -61.02 -49.71 87.78 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.555 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 24.0 Cg_exo -66.52 -0.42 4.37 Favored 'Trans proline' 0 C--N 1.362 1.265 0 C-N-CA 122.402 2.068 . . . . 0.0 113.555 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.33 19.05 17.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.348 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -80.6 138.05 51.15 Favored Pre-proline 0 C--N 1.323 -0.554 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.577 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 53.8 Cg_exo -52.02 146.7 28.82 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.172 2.581 . . . . 0.0 113.568 -179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.566 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 38.8 tt0 -63.84 -49.67 71.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.03 -178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -34.85 78.34 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.099 0.476 . . . . 0.0 110.843 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.8 tt -62.51 -54.83 34.11 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.881 177.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.6 m -66.34 -29.69 69.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.571 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.2 -51.18 71.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 0.0 110.013 175.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -70.29 -32.8 70.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.614 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -63.17 -32.64 74.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.976 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.417 HG23 HD22 ' A' ' 12' ' ' ASN . 6.7 m -102.26 -39.59 7.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.512 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 119.49 12.6 6.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.122 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 59.7 m -85.4 143.0 28.87 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.0 pt -105.71 137.43 35.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.057 0.456 . . . . 0.0 110.844 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.625 HG12 HG23 ' A' ' 2' ' ' THR . 71.0 mt -118.88 98.03 5.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.46 176.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.5 pt -111.65 137.03 21.09 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.929 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -88.96 1.05 6.17 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 122.699 2.266 . . . . 0.0 112.462 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.67 117.43 5.71 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.986 -177.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 49.56 -94.68 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 124.409 1.083 . . . . 0.0 112.977 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -163.94 175.96 9.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.784 -172.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 18.6 m -97.75 158.15 33.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.47 140.12 82.59 Favored 'Trans proline' 0 C--O 1.239 0.544 0 C-N-CA 122.383 2.055 . . . . 0.0 111.363 173.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.76 62.45 2.81 Favored Glycine 0 N--CA 1.454 -0.146 0 CA-C-N 116.325 -0.398 . . . . 0.0 113.117 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -171.03 -33.11 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -99.41 6.24 46.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.558 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.785 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -102.7 86.44 2.76 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.091 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 . . . . . 0 C--O 1.243 0.74 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 178.612 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.857 0.36 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.2 m -91.78 130.39 37.57 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.24 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.3 m -134.25 148.13 50.78 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.173 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.8 t -155.32 143.46 14.38 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -172.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 4' ' ' CYS . 2.7 Cg_exo -77.65 160.0 31.59 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.498 2.132 . . . . 0.0 111.094 170.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t 59.5 124.72 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.846 0.831 . . . . 0.0 112.641 -176.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.58 HD13 ' HB3' ' A' ' 46' ' ' ASN . 45.5 mm -60.52 -33.75 55.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.205 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.1 t -66.14 -35.75 75.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.986 -178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.98 90.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.881 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttm-85 -66.82 -33.53 75.82 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 110.101 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.448 ' O ' HG23 ' A' ' 15' ' ' VAL . 45.8 m -65.07 -45.85 83.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.101 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -59.49 -38.54 81.14 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.529 177.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.446 ' HZ ' ' HB2' ' A' ' 23' ' ' GLU . 51.3 t80 -56.54 -47.36 79.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.983 175.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -66.58 -40.69 89.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.372 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 11' ' ' SER . 99.7 t -62.66 -37.87 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.893 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.41 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 38.6 t -66.54 -38.88 88.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.213 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 21' ' ' THR . 75.1 ttt180 -80.24 -22.63 41.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.754 -175.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.532 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 59.8 tp -51.45 -51.29 70.55 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.7 Cg_exo -74.41 12.21 1.12 Allowed 'Trans proline' 0 C--N 1.357 1.001 0 C-N-CA 122.531 2.154 . . . . 0.0 113.707 -175.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.02 57.03 1.17 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.204 178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.561 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 3.2 m -128.5 131.88 24.03 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.77 136.92 73.48 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.971 2.448 . . . . 0.0 112.272 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' HB2' ' HZ ' ' A' ' 13' ' ' PHE . 12.9 pt-20 -61.72 -38.01 86.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.927 -174.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.21 96.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.72 -50.81 69.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.2 m -66.47 -37.45 85.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.792 -177.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.57 89.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.989 0.423 . . . . 0.0 110.523 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.3 m -68.1 -25.7 65.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.188 0.518 . . . . 0.0 110.523 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -78.13 -35.34 49.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.971 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.2 p -87.46 -16.05 35.9 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.21 22.06 16.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.081 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 51.9 m -94.34 162.74 13.71 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.4 pt -117.54 143.63 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.979 0.419 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 82.6 mt -118.37 118.4 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.3 pt -113.4 145.5 33.41 Favored Pre-proline 0 C--N 1.317 -0.815 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -64.5 -19.55 65.21 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.912 2.408 . . . . 0.0 111.598 175.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.8 154.96 45.64 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.959 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.58 -29.32 41.2 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.9 m -139.47 135.53 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.879 0.371 . . . . 0.0 111.215 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.1 m -94.72 164.96 18.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.818 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -58.47 125.79 19.44 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 121.83 1.686 . . . . 0.0 110.361 169.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.73 -18.68 62.02 Favored Glycine 0 N--CA 1.455 -0.06 0 C-N-CA 121.363 -0.446 . . . . 0.0 113.061 -173.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -68.94 -32.15 71.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.178 0.513 . . . . 0.0 110.178 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -102.83 -4.56 24.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.006 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.23 101.64 12.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.053 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.58 ' HB3' HD13 ' A' ' 7' ' ' ILE . 13.3 m120 . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.438 -0.792 . . . . 0.0 109.722 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.476 0.856 0 CA-C-O 120.609 0.242 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.0 m -103.44 131.94 50.11 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.694 0.283 . . . . 0.0 110.547 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' HB3' ' HD1' ' A' ' 44' ' ' TYR . 40.5 m -124.79 105.78 9.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.027 0.441 . . . . 0.0 110.233 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 78.3 m -106.48 142.05 24.09 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.52 -177.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -43.73 -66.15 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.378 2.719 . . . . 0.0 112.795 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -120.18 160.62 22.55 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.762 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.03 -31.2 36.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.972 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.9 t -53.36 -37.07 28.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.405 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -67.75 -40.12 84.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.849 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -68.99 -40.69 78.62 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.938 0.399 . . . . 0.0 110.444 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -58.85 -43.31 90.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.412 177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -73.93 -31.49 63.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -57.03 -49.76 74.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.746 0.308 . . . . 0.0 110.973 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -63.9 -40.98 97.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.8 t -62.65 -42.33 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.956 0.408 . . . . 0.0 110.583 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.544 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 41.6 t -64.05 -32.68 74.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.366 -178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.605 ' HD2' ' HG3' ' A' ' 23' ' ' GLU . 18.4 ttp180 -87.61 3.62 46.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 111.119 -177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.602 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 5.4 tt -74.87 -49.48 4.42 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.4 Cg_exo -75.46 -169.52 0.67 Allowed 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.028 1.818 . . . . 0.0 111.303 171.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.36 71.21 2.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.696 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.72 127.45 22.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -62.7 152.65 77.03 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.962 2.442 . . . . 0.0 113.028 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.605 ' HG3' ' HD2' ' A' ' 17' ' ' ARG . 7.0 mp0 -62.44 -49.53 75.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.636 -177.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.22 -32.52 70.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.109 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 tt -68.41 -54.47 16.93 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.2 m -60.92 -36.87 80.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.728 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.4 -57.49 12.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.6 m -65.43 -32.71 74.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.855 0.359 . . . . 0.0 111.0 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -64.07 -34.53 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.9 p -92.26 -12.23 33.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.119 0.485 . . . . 0.0 111.006 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.98 14.11 65.27 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.737 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 49.0 t -92.5 157.63 16.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.7 pt -125.9 137.74 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.233 0.539 . . . . 0.0 111.273 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.3 mt -104.79 112.74 39.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.854 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.45 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 41.8 pt -97.1 143.27 25.83 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.833 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 14.5 Cg_exo -69.56 -16.05 38.17 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 123.101 2.534 . . . . 0.0 111.921 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.65 140.8 26.6 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.035 -0.603 . . . . 0.0 111.851 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.39 -7.93 58.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.657 0.265 . . . . 0.0 111.553 -176.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.2 m -114.03 106.21 14.13 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.843 0.354 . . . . 0.0 111.106 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 46.5 t -93.41 131.09 33.43 Favored Pre-proline 0 C--N 1.322 -0.589 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 37.5 Cg_exo -57.78 128.23 28.29 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.62 2.213 . . . . 0.0 111.639 178.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.47 52.42 Favored Glycine 0 C--N 1.329 0.16 0 O-C-N 123.365 0.416 . . . . 0.0 113.195 -175.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -64.07 -42.97 96.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.987 0.423 . . . . 0.0 111.469 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.407 ' HD1' ' HB3' ' A' ' 3' ' ' CYS . 2.7 t80 -97.45 -5.2 36.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.144 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.36 87.0 5.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.241 0.543 . . . . 0.0 110.498 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' A' ' 4' ' ' CYS . 36.8 m-80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.396 -0.812 . . . . 0.0 109.545 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.431 ' HA ' ' OE1' ' A' ' 23' ' ' GLU . 26.6 m . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.0 t -81.41 140.96 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.311 0.577 . . . . 0.0 111.571 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.3 m -116.27 134.32 55.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.468 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 71.8 m -109.77 147.02 35.29 Favored Pre-proline 0 C--N 1.324 -0.536 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.054 -176.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -48.03 -72.13 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 123.653 2.902 . . . . 0.0 113.065 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 t -118.82 169.29 9.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.218 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -57.54 -29.86 35.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-O 121.015 0.436 . . . . 0.0 110.643 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -52.47 -48.35 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.654 176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.475 ' HB3' ' HB3' ' A' ' 4' ' ' CYS . . . -64.03 -40.69 96.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.948 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -63.93 -41.0 97.75 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.023 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.8 p -62.91 -32.62 73.94 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.769 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.51 -39.95 67.22 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -60.33 -41.11 92.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.788 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -56.09 -43.58 78.19 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.395 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.8 t -69.44 -41.13 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.745 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 52.1 t -61.03 -37.43 82.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.508 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 21' ' ' THR . 10.2 ttp180 -88.98 8.88 27.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.046 0.45 . . . . 0.0 111.436 -175.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.554 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.4 tm? -58.68 -49.96 90.63 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.202 177.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 13.5 Cg_exo -71.42 -2.58 11.49 Favored 'Trans proline' 0 C--N 1.36 1.172 0 C-N-CA 122.311 2.008 . . . . 0.0 113.291 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.67 26.65 12.76 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.257 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 5.4 m -72.1 129.93 87.15 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 177.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -51.01 144.06 29.16 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.838 2.359 . . . . 0.0 112.17 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' A' ' 1' ' ' THR . 13.5 pt-20 -62.95 -35.21 79.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.758 -172.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.91 94.17 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.939 0.4 . . . . 0.0 110.981 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.47 -49.9 74.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.076 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 99.4 m -69.2 -31.7 70.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.763 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.87 -49.51 73.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.798 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.4 m -67.08 -25.26 66.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.073 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.54 -13.54 48.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.165 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m -114.42 -27.85 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.667 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 107.75 19.21 9.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.162 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.6 m -91.88 158.19 16.44 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.4 pt -98.23 154.87 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 110.653 -177.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -115.46 110.87 33.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.166 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.3 pt -114.12 147.2 37.33 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.155 177.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -80.92 25.5 0.63 Allowed 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.937 2.424 . . . . 0.0 112.075 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.71 157.46 16.18 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.834 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.15 -43.14 68.13 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.8 t -123.51 164.2 19.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.989 0.423 . . . . 0.0 111.345 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 75.8 m -101.07 148.66 35.41 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.322 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.45 146.26 91.07 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.267 2.645 . . . . 0.0 112.719 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.0 61.83 2.13 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.798 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -170.2 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.57 0.7 . . . . 0.0 109.116 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -116.69 14.0 15.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.539 178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.11 87.6 6.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.452 -0.785 . . . . 0.0 109.257 177.4 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.781 HG23 HG12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -79.31 118.53 21.31 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.313 0.245 . . . . 0.0 110.59 177.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 13.3 m -106.68 103.5 12.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.4 m -105.45 162.86 18.43 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.713 -0.222 . . . . 0.0 110.877 -175.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -70.48 -149.52 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.158 2.572 . . . . 0.0 111.663 172.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.7 t -41.7 143.35 0.52 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.752 0.421 . . . . 0.0 111.847 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.1 mm -49.22 -38.72 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.448 -172.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.1 t -61.3 -34.28 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.975 0.416 . . . . 0.0 111.175 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.03 94.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.349 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 52.1 ttm-85 -64.85 -37.1 86.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.06 0.457 . . . . 0.0 110.428 177.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 15' ' ' VAL . 17.8 m -61.3 -46.2 91.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.415 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.27 -37.6 88.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.215 0.531 . . . . 0.0 110.141 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.701 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 65.2 t80 -58.18 -43.97 87.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.95 176.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -68.88 -36.17 77.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.886 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 11' ' ' SER . 82.5 t -60.99 -40.51 85.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.371 . . . . 0.0 110.275 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.529 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 35.8 t -62.51 -38.75 91.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.126 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -79.82 -15.17 57.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.76 -176.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.4 tm? -56.45 -52.29 74.41 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-O 119.44 -0.314 . . . . 0.0 111.605 -176.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 15.7 Cg_exo -70.23 7.63 1.08 Allowed 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 122.34 2.027 . . . . 0.0 113.426 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.1 36.72 6.21 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.233 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -94.47 133.04 27.61 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 72.5 Cg_exo -49.44 142.4 23.14 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.097 2.531 . . . . 0.0 113.11 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.701 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 48.8 tt0 -60.92 -46.47 90.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.841 -177.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.53 -36.33 80.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.946 0.403 . . . . 0.0 111.068 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.6 tt -64.19 -51.73 62.31 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.069 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 70.8 m -67.89 -29.52 68.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.522 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.32 -38.64 80.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.249 0.547 . . . . 0.0 110.102 175.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.6 m -80.73 -39.67 26.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.613 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -64.98 -41.38 95.48 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.658 -177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.8 m -102.72 -42.85 5.75 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.266 -172.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.29 89.97 0.93 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.279 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' SG ' HG22 ' A' ' 2' ' ' THR . 43.4 t -167.5 155.71 9.31 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 pt -115.41 145.99 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 110.332 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.781 HG12 HG23 ' A' ' 2' ' ' THR . 50.2 mt -121.68 117.9 54.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.988 -175.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 pt -97.52 121.1 59.26 Favored Pre-proline 0 C--N 1.317 -0.839 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 169.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -64.8 -11.35 28.86 Favored 'Trans proline' 0 N--CA 1.474 0.365 0 C-N-CA 123.09 2.526 . . . . 0.0 113.294 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -149.77 159.05 27.93 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 75.87 146.31 0.09 Allowed 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.17 162.53 25.7 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.1 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 57.7 m -80.44 140.8 52.31 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 31.6 Cg_exo -59.33 141.65 98.0 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.199 . . . . 0.0 111.426 175.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.23 -28.72 50.7 Favored Glycine 0 C--N 1.331 0.298 0 O-C-N 123.314 0.384 . . . . 0.0 113.032 -176.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -58.72 -44.48 90.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.0 111.532 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -116.42 21.3 13.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.331 0.586 . . . . 0.0 110.154 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.34 86.84 7.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.285 0.564 . . . . 0.0 110.216 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m120 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.43 178.438 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 13.5 p . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.48 0.181 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.651 HG23 HG12 ' A' ' 34' ' ' ILE . 4.7 m -79.41 111.52 15.75 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 172.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.6 m -137.04 105.47 5.77 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.36 0.6 . . . . 0.0 110.881 -172.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.443 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 20.1 m -107.04 162.53 19.4 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.615 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.87 -153.63 0.02 OUTLIER 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.653 2.235 . . . . 0.0 111.909 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.482 ' HA ' ' OD1' ' A' ' 46' ' ' ASN . 13.2 t -41.94 142.71 0.65 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.325 0.25 . . . . 0.0 111.547 -178.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.7 mt -41.51 -42.45 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.009 0.924 . . . . 0.0 112.591 -171.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.7 t -53.76 -36.74 30.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.718 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -42.01 84.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.746 0.308 . . . . 0.0 110.92 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' A' ' 4' ' ' CYS . 13.6 ttp85 -67.35 -34.91 78.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.068 0.461 . . . . 0.0 110.251 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 15' ' ' VAL . 17.7 m -64.37 -44.67 90.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.322 175.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -60.27 -36.97 79.04 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -58.15 -44.69 88.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.112 0.482 . . . . 0.0 110.371 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' HA ' ' HB3' ' A' ' 17' ' ' ARG . 34.6 m-80 -73.41 -18.69 61.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.736 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 11' ' ' SER . 96.3 t -67.43 -38.13 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.049 0.452 . . . . 0.0 109.881 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.778 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 30.7 t -78.72 -26.65 44.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.674 0.75 . . . . 0.0 110.169 176.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' HB3' ' HA ' ' A' ' 14' ' ' ASN . 22.0 tpt180 -76.98 -7.17 55.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.287 179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.639 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 43.6 tp -77.47 -52.99 1.65 Allowed Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.886 -177.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.639 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 12.6 Cg_exo -70.97 -36.44 7.6 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.924 1.749 . . . . 0.0 112.053 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.58 39.43 0.62 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.735 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.778 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 26.0 m -92.16 142.52 26.32 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.603 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 78.1 Cg_exo -35.38 123.23 0.23 Allowed 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.68 2.92 . . . . 0.0 113.67 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.02 -45.34 85.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.126 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.37 83.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.975 -178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.2 tt -58.23 -59.09 5.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.212 177.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 29' ' ' TYR . 67.4 m -75.07 -19.12 60.14 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.268 -175.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.09 -45.92 75.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.218 0.532 . . . . 0.0 109.687 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -69.24 -31.07 69.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.105 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.414 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 81.4 t80 -70.89 -28.24 64.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.555 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -96.05 -3.16 45.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.752 0.31 . . . . 0.0 111.456 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.49 26.17 61.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.409 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.4 t -98.69 158.45 15.61 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.5 pt -122.93 137.18 57.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.235 0.54 . . . . 0.0 110.792 177.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.651 HG12 HG23 ' A' ' 2' ' ' THR . 73.7 mt -117.48 97.59 5.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.0 pt -107.09 154.31 40.47 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.757 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -77.1 -7.7 17.33 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.508 2.139 . . . . 0.0 112.274 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.1 -179.12 24.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.452 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.13 -7.56 19.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.684 -0.304 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.3 m -72.72 81.65 1.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.241 0.543 . . . . 0.0 111.025 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 77.2 m -109.01 132.12 21.38 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.065 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.95 151.11 80.28 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.719 2.279 . . . . 0.0 111.546 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.7 -26.8 63.06 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 121.308 -0.472 . . . . 0.0 112.36 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.95 -22.13 65.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.192 0.52 . . . . 0.0 110.396 176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -108.14 24.43 13.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.623 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.62 100.23 7.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.741 0.305 . . . . 0.0 111.059 -179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.482 ' OD1' ' HA ' ' A' ' 6' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.217 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.755 ' HB ' HG23 ' A' ' 35' ' ' ILE . 7.3 m . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.3 m -129.67 136.61 49.93 Favored 'General case' 0 C--N 1.318 -0.785 0 O-C-N 122.326 -0.233 . . . . 0.0 110.567 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m -124.53 122.69 38.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.008 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.519 ' SG ' ' HB1' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -127.79 147.7 63.95 Favored Pre-proline 0 C--N 1.317 -0.827 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.318 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -69.44 148.49 67.24 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.695 1.597 . . . . 0.0 112.895 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t 45.38 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.427 -1.261 . . . . 0.0 111.513 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.745 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 47.6 mt -91.06 -23.04 6.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 t -55.91 -45.76 80.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.484 -176.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.519 ' HB1' ' SG ' ' A' ' 4' ' ' CYS . . . -65.91 -40.31 91.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.375 -175.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 46' ' ' ASN . 17.8 ttm180 -66.97 -39.86 87.33 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.422 ' O ' HG23 ' A' ' 15' ' ' VAL . 37.5 t -56.88 -50.77 71.49 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.978 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -67.73 -32.84 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -60.22 -51.66 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.588 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.79 -41.78 99.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.937 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.519 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 77.4 t -61.62 -42.82 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.215 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.57 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 36.9 t -63.49 -40.31 96.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.429 . . . . 0.0 111.25 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -75.54 -20.54 58.61 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 54.5 tp -58.89 -51.5 81.41 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 -175.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.57 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 23.3 Cg_exo -65.83 -12.28 34.53 Favored 'Trans proline' 0 C--N 1.359 1.087 0 C-N-CA 122.123 1.882 . . . . 0.0 112.934 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.03 5.35 15.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.642 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -66.8 134.74 94.15 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.578 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 88.7 Cg_exo -47.85 133.08 22.39 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.167 2.578 . . . . 0.0 113.04 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -58.83 -43.77 90.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.902 -177.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.26 -36.45 84.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.884 0.374 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.578 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 1.9 tt -63.3 -50.23 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.995 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 78.9 m -62.84 -37.06 85.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.0 -43.72 95.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.699 177.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.8 m -70.8 -32.13 69.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.711 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -72.25 -39.71 68.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.104 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.7 p -82.81 -37.32 24.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.781 0.324 . . . . 0.0 111.107 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.97 36.55 2.15 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.768 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 66.3 m -92.96 147.4 22.87 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.0 pt -104.57 138.24 30.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.923 0.392 . . . . 0.0 110.289 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.0 mt -96.57 113.84 31.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.508 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.755 HG23 ' HB ' ' A' ' 1' ' ' THR . 4.6 tt -112.7 124.84 30.97 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.894 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 16.1 Cg_exo -70.07 -14.64 35.34 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 123.125 2.55 . . . . 0.0 112.269 177.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.481 ' H ' HG12 ' A' ' 35' ' ' ILE . . . -106.66 -168.46 22.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.131 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.08 1.71 11.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.764 0.316 . . . . 0.0 111.435 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.73 98.11 6.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.497 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -134.6 132.49 20.76 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.24 141.38 31.49 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.422 2.748 . . . . 0.0 113.028 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.47 51.47 2.58 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.718 -178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -171.08 -35.66 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -92.49 -11.5 34.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.187 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.65 87.9 3.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.677 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.745 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 2.1 t30 . . . . . 0 C--O 1.244 0.765 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 t -135.66 149.37 49.27 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 121.312 0.577 . . . . 0.0 111.912 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 18.9 m -132.72 114.16 13.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.64 175.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.9 m -105.3 152.15 39.78 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.299 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.575 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 51.4 Cg_exo -59.28 -131.59 0.0 OUTLIER 'Trans proline' 0 N--CA 1.481 0.739 0 C-N-CA 123.576 2.851 . . . . 0.0 113.199 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -56.36 161.63 2.48 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 121.983 -0.448 . . . . 0.0 110.729 177.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.665 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 63.7 mt -47.91 -38.2 7.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.735 -175.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.74 -44.93 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.794 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.12 85.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.978 0.418 . . . . 0.0 110.796 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -65.4 -38.18 89.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.138 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 15' ' ' VAL . 20.3 t -63.86 -50.42 68.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.951 177.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -56.03 -41.1 74.44 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.693 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -57.37 -50.25 73.58 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.757 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -71.57 -32.14 67.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.718 -177.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 11' ' ' SER . 95.2 t -67.24 -40.54 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.098 0.475 . . . . 0.0 109.973 175.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.513 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 50.6 t -69.69 -34.31 73.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.988 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.545 ' HD3' ' HA ' ' A' ' 23' ' ' GLU . 19.0 mmm180 -81.4 2.07 30.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.446 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.558 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 2.0 tm? -77.7 -53.36 1.53 Allowed Pre-proline 0 CA--C 1.539 0.536 0 CA-C-O 119.481 -0.295 . . . . 0.0 111.025 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 14.7 Cg_exo -69.67 -23.82 30.79 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.03 1.82 . . . . 0.0 112.377 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 124.55 6.0 6.87 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.212 -0.994 . . . . 0.0 113.297 178.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.479 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 5.4 m -65.87 129.29 94.26 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 21' ' ' THR . 51.2 Cg_exo -54.68 145.77 58.13 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.44 2.76 . . . . 0.0 113.124 -175.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.545 ' HA ' ' HD3' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -66.28 -29.94 70.27 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.415 -175.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.49 77.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.058 0.456 . . . . 0.0 110.19 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.01 -55.12 36.62 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.273 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.1 m -55.68 -48.13 75.59 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.929 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.93 -52.29 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.967 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -60.82 -31.73 71.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.077 0.465 . . . . 0.0 111.28 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -75.46 -38.51 59.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.282 -175.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.0 t -93.21 -15.63 25.71 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.794 0.331 . . . . 0.0 111.422 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.69 32.88 5.78 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.5 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.8 t -108.24 155.47 20.44 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.6 pt -112.49 143.58 21.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.238 0.542 . . . . 0.0 112.159 -175.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.6 mt -104.87 121.98 57.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.551 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.497 ' HB ' ' HD2' ' A' ' 36' ' ' PRO . 2.6 pt -142.1 166.28 22.37 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.607 -172.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.497 ' HD2' ' HB ' ' A' ' 35' ' ' ILE . 32.3 Cg_endo -66.0 -49.62 2.02 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.444 2.096 . . . . 0.0 112.399 176.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 147.24 173.96 18.85 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.845 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 75.73 -41.22 0.43 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.942 0.897 . . . . 0.0 111.053 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.495 ' O ' HD12 ' A' ' 35' ' ' ILE . 38.5 m -86.75 107.6 18.32 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.4 176.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.9 t -152.35 101.76 2.77 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.534 ' HB2' ' HD2' ' A' ' 44' ' ' TYR . 31.3 Cg_exo -60.35 156.95 38.02 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.79 2.326 . . . . 0.0 112.028 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.43 -36.42 92.51 Favored Glycine 0 N--CA 1.454 -0.159 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.099 -175.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.575 ' O ' ' HA ' ' A' ' 5' ' ' PRO . 10.2 p-10 -86.79 2.28 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.829 0.347 . . . . 0.0 110.917 -178.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.534 ' HD2' ' HB2' ' A' ' 41' ' ' PRO . 87.2 m-85 -121.29 14.62 11.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.75 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.91 86.57 3.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.871 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.665 ' ND2' ' HA ' ' A' ' 7' ' ' ILE . 4.3 t30 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.185 -0.912 . . . . 0.0 109.591 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.01 0.433 . . . . 0.0 110.061 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.528 HG22 ' SG ' ' A' ' 32' ' ' CYS . 0.2 OUTLIER -131.4 144.14 50.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.318 -172.638 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 m -130.33 122.28 27.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 88.1 m -102.56 155.22 36.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.073 0.463 . . . . 0.0 111.627 -172.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 32' ' ' CYS . 22.7 Cg_exo -67.88 -76.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.885 2.39 . . . . 0.0 113.041 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -91.31 150.67 21.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.234 -177.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 10' ' ' ARG . 50.4 mt -57.95 -46.3 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -177.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -60.51 -38.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.23 -4.08 30.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.037 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.508 ' HD2' ' OD1' ' A' ' 46' ' ' ASN . 26.7 ttt-85 -94.6 -44.29 7.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.931 175.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.458 ' O ' HG23 ' A' ' 15' ' ' VAL . 35.9 m -64.87 -44.47 89.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.49 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -70.0 -26.64 64.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.91 0.386 . . . . 0.0 110.216 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HB2' HG21 ' A' ' 30' ' ' THR . 75.7 t80 -65.78 -45.11 83.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.993 173.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.9 -35.6 80.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.976 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 11' ' ' SER . 58.9 t -67.2 -38.14 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.101 0.477 . . . . 0.0 110.197 176.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 46.0 t -68.9 -24.71 64.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.389 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -82.3 -10.02 59.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.868 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 1.0 OUTLIER -69.87 -51.79 14.51 Favored Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.983 -179.014 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.563 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 4.1 Cg_exo -75.23 -171.51 1.02 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 122.024 1.816 . . . . 0.0 111.49 176.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.62 47.49 3.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.499 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -100.33 125.67 38.7 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -57.86 147.34 81.81 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.01 2.473 . . . . 0.0 112.939 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -54.23 -47.66 71.96 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.603 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -43.85 83.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.61 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.27 -53.58 56.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.277 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.0 m -66.1 -35.85 81.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.341 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.31 -40.46 86.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.224 -178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 m -61.57 -46.71 88.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.129 -178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -65.77 -31.62 72.71 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.739 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.448 HG21 ' HB2' ' A' ' 13' ' ' PHE . 19.6 p -89.58 -14.9 34.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.782 0.325 . . . . 0.0 111.799 -176.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.46 13.97 80.84 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -173.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.539 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 15.0 t -81.56 156.84 25.01 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.7 pt -119.72 137.58 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.187 0.518 . . . . 0.0 111.707 -175.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.0 mt -89.88 125.9 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.591 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.9 pt -94.47 133.21 27.35 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.101 -177.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -76.4 -6.66 17.31 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.764 2.309 . . . . 0.0 112.096 179.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.37 -173.1 45.98 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.112 -0.565 . . . . 0.0 112.015 178.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -96.7 -36.05 10.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.914 0.387 . . . . 0.0 110.923 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.1 t -115.6 153.18 31.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.023 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.8 t -89.21 141.1 28.94 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.165 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -60.25 167.49 7.6 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.05 2.5 . . . . 0.0 112.335 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.06 -37.3 8.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.278 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.51 -35.49 80.63 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.166 0.508 . . . . 0.0 110.538 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -110.82 27.11 9.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.913 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.81 100.27 2.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.486 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.597 ' HB3' ' O ' ' A' ' 4' ' ' CYS . 27.8 t-20 . . . . . 0 C--O 1.253 1.238 0 CA-C-O 117.97 -1.014 . . . . 0.0 108.494 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.08 0.467 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.427 HG22 ' SG ' ' A' ' 32' ' ' CYS . 6.3 m -116.05 125.57 52.61 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.132 -176.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.9 m -124.93 113.22 17.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.068 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.8 m -101.33 152.71 38.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.181 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 44' ' ' TYR . 16.2 Cg_exo -69.91 -77.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.763 2.309 . . . . 0.0 112.527 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -70.74 149.08 47.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.353 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.555 HG12 ' ND2' ' A' ' 46' ' ' ASN . 51.2 mt -61.62 -43.01 96.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.182 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.4 t -66.49 -29.56 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.56 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.76 96.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.315 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -65.67 -41.1 92.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.71 0.29 . . . . 0.0 110.506 177.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.504 ' O ' HG23 ' A' ' 15' ' ' VAL . 13.6 m -57.96 -48.72 79.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.571 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.04 -37.32 87.0 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.1 0.476 . . . . 0.0 110.39 178.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -61.83 -38.72 89.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.322 177.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.09 -32.47 69.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 178.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 11' ' ' SER . 88.9 t -66.86 -35.04 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.076 0.465 . . . . 0.0 110.197 175.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.732 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 6.7 t -61.64 -45.96 91.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.509 . . . . 0.0 111.238 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.976 ' HD2' ' HG2' ' A' ' 23' ' ' GLU . 68.5 mtp180 -85.26 10.35 12.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.475 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.535 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 6.4 tt -76.31 -56.71 1.49 Allowed Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.23 177.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 39.4 Cg_endo -69.49 -51.25 0.42 Allowed 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 121.358 1.372 . . . . 0.0 111.671 175.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.92 55.03 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.3 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.732 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 8.0 m -111.3 134.48 21.12 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.91 143.35 82.38 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.144 2.562 . . . . 0.0 113.515 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.976 ' HG2' ' HD2' ' A' ' 17' ' ' ARG . 41.9 mt-10 -55.58 -58.15 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.722 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.08 -37.83 67.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.639 -174.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.68 -52.8 63.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.899 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 93.5 m -81.59 -25.4 35.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.937 -175.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.56 95.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.94 0.4 . . . . 0.0 110.325 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.2 m -72.88 -26.23 61.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.879 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.25 -30.65 18.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.938 0.399 . . . . 0.0 111.789 -175.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -102.93 -22.15 13.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.423 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.99 84.63 1.74 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.939 -177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.427 ' SG ' HG22 ' A' ' 2' ' ' THR . 35.2 t -164.92 154.45 13.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 43.7 pt -117.21 141.77 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.042 0.449 . . . . 0.0 111.479 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.415 HG12 HG23 ' A' ' 2' ' ' THR . 59.3 mt -115.19 121.74 67.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.819 176.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.2 pt -131.69 152.79 80.99 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.773 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -88.19 9.86 3.6 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.788 2.325 . . . . 0.0 111.853 174.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -85.66 -142.88 6.55 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.502 -178.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -150.75 -42.98 0.12 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.7 m -86.11 102.12 13.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.125 0.488 . . . . 0.0 112.007 -173.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 94.5 m -107.73 117.98 54.19 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 170.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -60.64 144.14 99.5 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.594 2.196 . . . . 0.0 111.441 177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.04 -12.66 37.8 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 121.333 -0.46 . . . . 0.0 112.91 -176.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -68.2 -24.84 64.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.931 0.396 . . . . 0.0 110.746 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 5' ' ' PRO . 4.4 t80 -142.53 22.78 1.99 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.738 -173.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . . . -125.85 92.46 3.6 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.715 -0.394 . . . . 0.0 112.045 -175.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.555 ' ND2' HG12 ' A' ' 7' ' ' ILE . 28.8 t-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.325 -0.845 . . . . 0.0 108.916 169.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.473 0.714 0 CA-C-O 120.967 0.413 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.537 HG22 ' SG ' ' A' ' 32' ' ' CYS . 5.3 m -99.13 122.52 42.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.615 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.6 m -122.41 110.27 15.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.191 -177.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 10' ' ' ARG . 58.7 m -98.99 146.97 32.59 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.828 -178.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.64 -75.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.255 2.637 . . . . 0.0 113.622 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t -92.48 163.11 13.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.381 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.83 HG12 HD21 ' A' ' 46' ' ' ASN . 51.8 mt -57.28 -53.54 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-O 121.222 0.534 . . . . 0.0 110.6 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.5 t -56.79 -29.92 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.608 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.82 91.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.981 0.419 . . . . 0.0 110.368 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.558 ' HD2' ' OXT' ' A' ' 46' ' ' ASN . 61.8 ttt180 -76.22 -33.54 59.23 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.349 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 15' ' ' VAL . 15.0 m -58.51 -53.73 55.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 175.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -60.28 -34.39 73.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.249 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -58.23 -49.29 77.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.799 0.333 . . . . 0.0 110.833 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -70.48 -39.85 73.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.944 -177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 11' ' ' SER . 86.1 t -65.19 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.696 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.566 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 39.5 t -70.11 -37.91 75.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.942 0.401 . . . . 0.0 111.197 178.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -80.83 -8.82 59.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.794 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 0.7 OUTLIER -63.0 -51.5 70.33 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 -178.378 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.566 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 2.8 Cg_exo -78.01 -162.05 0.16 Allowed 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 122.303 2.002 . . . . 0.0 111.787 174.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.92 67.88 3.51 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.541 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -128.4 131.29 23.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 120.599 0.238 . . . . 0.0 110.415 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.456 ' HG2' ' HB3' ' A' ' 25' ' ' LEU . 12.6 Cg_endo -57.95 134.91 65.43 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.09 2.526 . . . . 0.0 112.766 178.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.491 ' H ' ' CD ' ' A' ' 23' ' ' GLU . 1.2 mp0 -57.67 -44.57 85.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.785 -178.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.36 -37.19 82.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.275 -177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.456 ' HB3' ' HG2' ' A' ' 22' ' ' PRO . 34.6 tp -68.63 -43.22 76.78 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.455 -179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.3 m -64.55 -36.75 85.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.724 179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.11 -47.52 73.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.007 0.432 . . . . 0.0 110.521 177.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.8 m -61.09 -39.48 90.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.916 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -68.44 -28.19 66.84 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.722 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.2 p -97.9 -16.38 19.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.923 0.392 . . . . 0.0 111.724 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.75 17.94 62.63 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -175.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.537 ' SG ' HG22 ' A' ' 2' ' ' THR . 26.5 t -89.45 157.72 18.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.5 pt -120.48 145.55 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.063 0.459 . . . . 0.0 111.589 -178.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 76.5 mt -114.41 97.86 6.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.175 174.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.0 pt -98.89 149.76 36.05 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.731 -177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.24 -10.45 29.0 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.012 2.475 . . . . 0.0 112.295 178.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -72.8 160.7 54.16 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -100.57 -2.58 32.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.898 0.38 . . . . 0.0 111.304 -177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.6 t -129.5 148.93 51.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.369 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.9 m -93.7 137.41 23.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.489 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.63 166.66 26.68 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.916 2.41 . . . . 0.0 112.322 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.26 -7.76 68.51 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.884 176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.88 -45.47 94.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 174.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -163.7 124.72 2.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.667 169.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.26 93.39 3.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.332 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.83 HD21 HG12 ' A' ' 7' ' ' ILE . 19.0 t-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.416 -0.802 . . . . 0.0 109.63 178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 110.604 -0.146 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.732 HG23 HG12 ' A' ' 34' ' ' ILE . 6.2 m -98.64 112.08 24.24 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 176.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.51 ' HB3' ' HA ' ' A' ' 45' ' ' ALA . 64.0 m -137.17 123.29 20.39 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.223 0.535 . . . . 0.0 110.472 -173.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.2 m -103.14 153.53 38.29 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.39 -175.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.55 -73.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.465 2.777 . . . . 0.0 113.696 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -125.58 -176.91 3.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.74 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.764 ' H ' HD12 ' A' ' 7' ' ' ILE . 4.7 mp -57.32 -40.62 75.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.075 0.464 . . . . 0.0 110.834 -176.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.2 t -57.17 -42.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.248 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.94 84.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.079 0.466 . . . . 0.0 110.503 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -62.4 -41.97 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.135 175.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 15' ' ' VAL . 12.5 t -62.18 -43.66 98.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.375 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -57.95 -47.36 83.14 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.987 0.422 . . . . 0.0 110.665 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -58.94 -42.28 89.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.637 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -68.48 -47.73 66.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.664 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 11' ' ' SER . 91.3 t -65.85 -43.14 93.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.687 0.279 . . . . 0.0 111.173 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.2 t -59.91 -43.8 94.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.781 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 65.3 ttp85 -90.07 1.58 56.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.749 0.309 . . . . 0.0 111.342 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 23.8 tp -56.22 -50.88 84.96 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.872 -176.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 18' ' ' LEU . 32.5 Cg_endo -66.3 -46.81 3.8 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.66 1.573 . . . . 0.0 112.266 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 146.1 65.02 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.654 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.664 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 5.3 m -112.8 139.56 22.98 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 -177.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.29 127.68 9.28 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.221 2.614 . . . . 0.0 112.234 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.781 ' HG2' ' HD3' ' A' ' 17' ' ' ARG . 38.2 mt-10 -60.9 -41.4 96.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.955 -172.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -34.64 73.31 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.928 0.394 . . . . 0.0 111.198 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.34 -51.26 46.4 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.787 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 74.6 m -65.19 -36.69 84.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.35 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.29 -56.94 12.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.518 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.1 m -57.44 -35.43 70.11 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.045 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -58.08 -38.49 76.48 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.144 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.6 t -104.66 0.59 28.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.895 0.379 . . . . 0.0 111.652 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 85.8 19.35 58.1 Favored Glycine 0 C--O 1.234 0.127 0 C-N-CA 120.312 -0.947 . . . . 0.0 112.148 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 42.9 t -90.21 147.43 23.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.2 pt -117.16 137.38 51.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.347 0.594 . . . . 0.0 111.983 -174.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.732 HG12 HG23 ' A' ' 2' ' ' THR . 65.5 mt -109.27 100.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.048 172.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.5 pt -90.72 151.55 43.89 Favored Pre-proline 0 C--N 1.315 -0.895 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.337 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -72.38 1.29 6.3 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 122.894 2.396 . . . . 0.0 112.402 179.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -106.22 174.65 20.69 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -90.79 -48.5 6.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.763 0.316 . . . . 0.0 111.347 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.1 m -90.91 125.89 35.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.871 -174.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.4 m -105.27 160.39 26.19 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.546 176.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.57 126.59 20.27 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.215 1.943 . . . . 0.0 111.067 172.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.35 -31.42 59.62 Favored Glycine 0 C--N 1.33 0.203 0 O-C-N 123.215 0.322 . . . . 0.0 113.425 -175.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -66.68 -25.97 66.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 0.0 111.46 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -118.23 20.34 13.18 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.408 0.623 . . . . 0.0 109.723 -176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HA ' ' HB3' ' A' ' 3' ' ' CYS . . . -117.23 87.28 2.67 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.884 -176.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 . . . . . 0 C--N 1.316 -0.851 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.012 170.465 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.9 t -100.04 139.07 36.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.269 0.557 . . . . 0.0 110.369 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.1 m -127.24 105.32 8.47 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.735 -175.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.6 m -97.55 148.57 34.62 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -172.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.721 ' HA ' ' CD1' ' A' ' 44' ' ' TYR . 42.7 Cg_exo -43.18 -67.08 0.13 Allowed 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 124.518 3.478 . . . . 0.0 114.612 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.4 t -120.64 165.83 14.51 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.259 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.733 HD13 ' HB3' ' A' ' 46' ' ' ASN . 26.4 mm -54.05 -42.27 54.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.979 0.419 . . . . 0.0 110.112 175.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.5 t -58.15 -38.05 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.774 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.13 82.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.609 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -74.61 -35.07 62.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 m -62.28 -45.86 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.606 172.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.02 -32.71 74.14 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.991 178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -58.77 -31.79 68.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.173 0.511 . . . . 0.0 110.263 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -83.52 -44.73 14.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.779 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.41 -34.84 66.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.292 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.75 -31.29 72.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 0.0 111.083 178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -90.41 2.88 55.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.824 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 34.5 tp -69.17 -49.18 25.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.371 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.547 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 92.7 Cg_endo -81.43 -163.29 0.22 Allowed 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 121.879 1.719 . . . . 0.0 111.33 169.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.88 73.25 2.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.916 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -132.5 130.47 21.81 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.93 149.58 89.64 Favored 'Trans proline' 0 CA--C 1.534 0.488 0 C-N-CA 123.257 2.638 . . . . 0.0 113.534 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -59.74 -53.59 56.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.459 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -36.19 75.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.199 -177.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.44 -52.54 61.04 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.831 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.9 m -58.74 -42.33 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.746 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -54.32 47.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.113 0.482 . . . . 0.0 110.8 179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 m -62.76 -37.28 85.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.113 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -68.13 -35.87 78.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.605 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.8 p -84.52 -13.0 53.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.96 0.409 . . . . 0.0 111.465 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.75 18.04 52.57 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -177.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 41.4 t -92.71 141.02 28.92 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -178.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.41 137.08 43.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.002 0.43 . . . . 0.0 111.209 -175.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 80.8 mt -105.87 117.45 51.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.554 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 pt -119.14 134.51 23.67 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.037 0.446 . . . . 0.0 111.143 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -75.31 68.26 6.03 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.815 2.344 . . . . 0.0 110.91 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -148.92 -173.13 19.37 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.231 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.13 0.97 10.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.201 0.5 . . . . 0.0 111.196 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.4 m -141.28 125.0 16.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.415 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 86.4 m -81.91 159.1 66.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.075 -178.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.9 147.04 92.17 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.475 2.117 . . . . 0.0 111.194 172.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.39 -21.83 62.7 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.547 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -70.09 -39.73 75.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.963 0.411 . . . . 0.0 110.755 178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.721 ' CD1' ' HA ' ' A' ' 5' ' ' PRO . 26.0 m-85 -126.51 84.8 2.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.49 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.36 87.42 2.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.034 0.445 . . . . 0.0 111.004 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.733 ' HB3' HD13 ' A' ' 7' ' ' ILE . 48.1 m-80 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.139 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 120.846 0.355 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.439 HG23 HG12 ' A' ' 34' ' ' ILE . 4.7 m -88.43 120.17 29.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.851 178.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.2 m -117.65 95.7 5.06 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.243 0.544 . . . . 0.0 110.496 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.4 m -97.64 156.04 36.53 Favored Pre-proline 0 C--N 1.317 -0.808 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.886 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.543 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 31.5 Cg_exo -62.65 -134.35 0.0 OUTLIER 'Trans proline' 0 CA--C 1.534 0.521 0 C-N-CA 123.199 2.599 . . . . 0.0 112.476 175.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -68.72 179.55 1.72 Allowed 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 121.348 0.594 . . . . 0.0 111.552 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -57.48 -45.81 85.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.194 -173.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.76 -41.32 79.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-O 120.727 0.298 . . . . 0.0 110.947 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.08 94.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.857 178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -59.94 -42.33 93.79 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.044 0.449 . . . . 0.0 110.467 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 15' ' ' VAL . 45.2 t -61.46 -53.15 60.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.428 178.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -59.88 -36.25 76.53 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.09 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.87 -47.37 86.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 178.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -68.82 -41.29 78.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.547 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 11' ' ' SER . 92.4 t -63.06 -38.3 81.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.993 0.425 . . . . 0.0 110.459 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.535 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.2 t -73.04 -29.36 62.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.52 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -80.39 -8.01 59.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.343 -175.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 3.8 tt -75.98 -51.65 2.8 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.061 -178.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.563 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 16.8 Cg_exo -69.1 179.46 3.32 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.446 2.097 . . . . 0.0 112.495 177.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.57 73.54 2.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.61 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 t -136.1 146.25 55.7 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.78 135.39 69.29 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.037 2.491 . . . . 0.0 113.009 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -34.87 77.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.56 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.11 -37.23 74.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.105 179.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.8 tp -69.05 -47.81 64.43 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.38 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.3 m -64.31 -35.84 82.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.977 0.418 . . . . 0.0 110.775 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.27 69.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.355 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.3 m -60.6 -43.31 97.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -62.58 -36.6 83.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.668 -177.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.1 p -89.19 -24.11 22.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.907 0.384 . . . . 0.0 111.826 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.78 18.81 39.33 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.9 t -92.84 143.02 26.68 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.399 . . . . 0.0 110.062 -178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.0 pt -123.38 148.09 27.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.465 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.439 HG12 HG23 ' A' ' 2' ' ' THR . 77.6 mt -116.67 105.79 18.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 121.038 0.447 . . . . 0.0 110.379 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.463 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 26.7 pt -92.95 141.51 24.25 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.626 -179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 13.2 Cg_exo -70.7 -29.84 18.82 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.838 2.359 . . . . 0.0 112.877 -177.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -142.01 158.75 26.86 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.51 -0.853 . . . . 0.0 111.811 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 37' ' ' GLY . . . 78.84 153.49 0.13 Allowed 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.915 0.886 . . . . 0.0 110.833 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.0 t -83.72 172.93 11.76 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.831 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.509 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 61.4 m -83.86 153.12 63.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.456 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.67 149.16 92.08 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.546 2.164 . . . . 0.0 111.433 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.42 -31.81 75.42 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.981 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -94.84 9.37 39.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.833 0.349 . . . . 0.0 110.623 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -140.95 29.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.262 0.553 . . . . 0.0 109.725 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 40' ' ' CYS . . . -132.3 87.26 2.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.926 178.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.543 ' HB2' ' O ' ' A' ' 5' ' ' PRO . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.97 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.557 ' O ' HG12 ' A' ' 35' ' ' ILE . 13.2 m . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.047 0.451 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.6 m -93.33 136.04 33.98 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 175.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.6 m -139.58 122.93 17.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.849 0.357 . . . . 0.0 110.694 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 72.4 m -111.1 147.24 36.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 -173.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HB2' ' H ' ' A' ' 6' ' ' SER . 52.3 Cg_exo -56.79 -74.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.305 2.67 . . . . 0.0 113.372 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 5' ' ' PRO . 31.4 t -77.26 147.16 36.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.049 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.704 ' H ' HD12 ' A' ' 7' ' ' ILE . 4.5 mp -61.36 -37.01 76.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.67 -35.4 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.707 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.26 -34.68 77.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.528 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.48 ' HB3' ' O ' ' A' ' 7' ' ' ILE . 17.8 tpp180 -58.64 -42.47 88.4 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.268 175.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.453 ' O ' HG23 ' A' ' 15' ' ' VAL . 22.9 t -69.08 -48.13 63.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.47 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -59.08 -36.61 75.41 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.556 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.87 -45.28 92.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.978 0.418 . . . . 0.0 110.933 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -74.8 -18.48 60.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.297 -178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 11' ' ' SER . 92.7 t -79.18 -38.49 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.96 0.409 . . . . 0.0 110.093 174.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 51.1 t -69.99 -41.39 74.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.117 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -84.03 0.23 49.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.16 0.505 . . . . 0.0 110.777 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.548 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 40.3 tp -70.27 -50.17 16.0 Favored Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 112.341 0.496 . . . . 0.0 112.341 -175.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 13.9 Cg_exo -71.61 0.26 7.23 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 122.342 2.028 . . . . 0.0 112.855 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.32 9.33 31.75 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.454 178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -73.38 129.25 86.09 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -49.34 136.09 31.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.34 2.693 . . . . 0.0 113.462 -176.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HG3' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -65.99 -40.03 90.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.674 -176.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.92 78.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.091 0.472 . . . . 0.0 110.906 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.27 -45.8 62.33 Favored 'General case' 0 N--CA 1.438 -1.048 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.21 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 84.5 m -64.55 -37.34 87.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.248 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.63 89.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.065 0.459 . . . . 0.0 110.334 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.1 m -69.69 -33.21 72.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.78 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -74.84 -43.33 55.1 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.042 -177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -98.0 -1.31 42.94 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.918 0.389 . . . . 0.0 111.61 -169.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.12 68.17 1.52 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.256 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 41.1 t -148.47 158.62 44.23 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.6 pt -120.84 143.16 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.08 0.466 . . . . 0.0 111.79 -175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.8 mt -117.12 121.49 67.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.376 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.557 HG12 ' O ' ' A' ' 1' ' ' THR . 30.4 pt -74.14 150.96 88.0 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.949 0.404 . . . . 0.0 111.83 -175.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 2.2 Cg_endo -81.87 -3.28 11.7 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 123.18 2.587 . . . . 0.0 112.295 177.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.2 173.88 32.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.366 -0.921 . . . . 0.0 113.269 178.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 68.42 -101.52 0.05 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 124.426 1.09 . . . . 0.0 111.411 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -173.35 163.53 4.53 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.603 -174.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 79.0 m -81.35 145.34 55.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 120.645 0.26 . . . . 0.0 110.437 178.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 14.1 Cg_exo -70.75 157.31 58.82 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.734 2.29 . . . . 0.0 111.462 174.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.16 -20.94 63.42 Favored Glycine 0 C--O 1.235 0.187 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.338 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -61.37 -30.88 70.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 110.914 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.65 78.78 1.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.094 0.474 . . . . 0.0 110.543 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -132.27 105.19 7.17 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.103 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.588 ' HB3' ' O ' ' A' ' 4' ' ' CYS . 58.9 t30 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.118 -175.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' A' ' 33' ' ' ILE . 13.8 t -120.87 137.41 54.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.526 0.679 . . . . 0.0 111.599 -178.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.8 m -130.03 139.84 50.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.468 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 75.0 m -116.51 173.31 3.14 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.577 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.05 -152.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.489 2.126 . . . . 0.0 110.54 165.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -45.36 149.71 0.51 Allowed 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 122.668 0.387 . . . . 0.0 111.71 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.7 mm -49.51 -33.66 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.104 0.562 . . . . 0.0 112.502 -171.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.3 t -55.14 -30.54 24.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 CA-C-O 121.212 0.529 . . . . 0.0 111.464 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.71 70.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.029 -0.419 . . . . 0.0 110.909 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -70.21 -38.66 75.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.726 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.545 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.6 p -63.25 -41.26 99.05 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.791 -0.363 . . . . 0.0 110.495 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -62.14 -40.37 95.73 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.291 174.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.728 ' HZ ' ' HG3' ' A' ' 23' ' ' GLU . 82.1 t80 -60.41 -39.08 86.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.311 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.93 -41.5 78.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.533 177.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 11' ' ' SER . 88.2 t -61.64 -39.39 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.348 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.813 ' SG ' ' HB ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -52.38 -47.8 65.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.006 0.431 . . . . 0.0 111.545 175.107 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -88.55 5.04 44.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.794 -172.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.651 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 9.3 tt -72.39 -51.98 7.17 Favored Pre-proline 0 CA--C 1.538 0.512 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.74 178.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 6.2 Cg_exo -76.16 -36.08 2.06 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.83 1.687 . . . . 0.0 111.617 176.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.62 81.57 0.22 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.189 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.813 ' HB ' ' SG ' ' A' ' 16' ' ' CYS . 2.2 m -135.09 138.51 29.46 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.628 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 88.7 Cg_exo -49.04 131.02 25.07 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 123.328 2.685 . . . . 0.0 113.977 -178.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.728 ' HG3' ' HZ ' ' A' ' 13' ' ' PHE . 34.6 tt0 -55.19 -55.4 31.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.086 177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.31 -41.09 79.24 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.577 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.628 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.5 tt -56.93 -59.32 5.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.177 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 97.7 m -69.15 -36.61 77.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.974 -175.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.54 -51.93 67.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 0.0 110.287 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.7 m -65.96 -32.55 74.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.139 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -72.68 -39.36 67.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.449 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 m -90.83 -22.08 21.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 -171.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.05 22.84 6.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.705 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 69.2 m -96.11 137.97 34.41 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 2' ' ' THR . 34.1 pt -99.19 138.85 22.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.509 -178.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 72.9 mt -112.72 104.4 16.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.224 0.535 . . . . 0.0 110.169 178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.1 pt -107.06 149.03 38.11 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.464 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -52.03 -35.67 62.28 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.368 2.712 . . . . 0.0 113.317 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.92 125.85 0.86 Allowed Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.89 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . 170.54 150.89 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 t -78.0 133.54 37.97 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 73.4 m -82.09 143.06 48.59 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.312 -178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.69 147.42 95.38 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.59 2.194 . . . . 0.0 110.978 174.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.58 -28.01 43.91 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.572 -0.347 . . . . 0.0 112.924 -176.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -55.3 -39.25 69.68 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.887 0.475 . . . . 0.0 111.718 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -127.94 15.5 6.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.027 0.442 . . . . 0.0 110.871 -175.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -87.91 85.87 7.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.174 0.511 . . . . 0.0 109.99 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 C--N 1.318 -0.781 0 CA-C-N 115.225 -0.898 . . . . 0.0 108.967 179.816 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.7 m . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.0 0.429 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.6 m -114.07 113.34 24.6 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 171.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 44' ' ' TYR . 57.0 m -120.2 130.71 54.67 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.644 -172.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.419 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 85.0 m -101.91 172.45 4.38 Favored Pre-proline 0 C--N 1.316 -0.858 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.981 -174.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 4' ' ' CYS . 36.9 Cg_exo -61.63 -165.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 122.662 2.241 . . . . 0.0 111.438 169.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -56.01 164.56 1.18 Allowed 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.156 0.503 . . . . 0.0 111.532 -175.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.4 mt -44.07 -45.38 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 114.855 -1.066 . . . . 0.0 113.253 -169.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.9 t -51.49 -52.71 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.74 -34.45 71.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.257 0.551 . . . . 0.0 110.54 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.466 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 3.4 tmt_? -66.22 -35.26 79.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.951 -178.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 15' ' ' VAL . 36.7 m -65.91 -44.98 83.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.448 175.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -62.86 -31.66 72.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.9 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -58.16 -49.98 75.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.497 173.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -64.52 -38.48 91.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.066 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' SER . 73.6 t -66.23 -32.33 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.732 177.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.538 ' O ' ' HD2' ' A' ' 19' ' ' PRO . 42.5 t -64.82 -38.99 92.84 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.362 -179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 21' ' ' THR . 74.4 ttt180 -86.16 -3.17 58.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.088 0.47 . . . . 0.0 110.912 -177.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 5.7 tt -63.34 -50.05 76.15 Favored Pre-proline 0 CA--C 1.541 0.604 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.79 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.542 ' HD3' ' HB3' ' A' ' 18' ' ' LEU . 7.3 Cg_exo -74.85 15.31 0.72 Allowed 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.294 1.996 . . . . 0.0 112.796 177.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.32 39.98 11.88 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.882 176.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.462 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 58.5 m -99.27 132.98 22.42 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.568 ' HB2' ' HB2' ' A' ' 25' ' ' LEU . 81.7 Cg_exo -45.38 140.39 8.4 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.723 2.948 . . . . 0.0 114.038 -176.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -47.47 85.07 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.909 -176.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.36 94.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.073 0.463 . . . . 0.0 110.925 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.568 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 2.5 tt -58.11 -55.19 38.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.896 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 95.8 m -62.99 -38.28 90.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.352 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.87 80.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 110.822 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.0 m -68.94 -31.32 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -72.3 -34.99 68.55 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.226 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 p -88.3 -36.37 16.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.879 0.371 . . . . 0.0 111.397 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 114.64 30.77 2.3 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.395 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.6 m -85.9 147.2 26.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 33.0 pt -107.99 138.35 34.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.098 0.475 . . . . 0.0 111.205 -178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 34' ' ' ILE . 4.2 mp -97.25 137.25 25.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.701 176.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 42.9 pt -122.81 133.44 24.46 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-O 120.771 0.32 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 35' ' ' ILE . 6.5 Cg_exo -75.55 -13.05 20.43 Favored 'Trans proline' 0 N--CA 1.464 -0.24 0 C-N-CA 122.824 2.349 . . . . 0.0 111.746 174.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 171.56 -159.42 31.01 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' HB ' ' A' ' 39' ' ' THR . . . 73.44 -16.01 0.52 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.748 0.819 . . . . 0.0 112.735 176.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 38' ' ' ALA . 55.2 m 67.94 145.68 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 CA-C-O 121.454 0.645 . . . . 0.0 112.358 177.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 65.7 m -81.57 140.27 47.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.446 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 40' ' ' CYS . 21.3 Cg_exo -66.42 164.86 26.87 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 122.79 2.327 . . . . 0.0 111.524 175.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.04 -33.1 82.76 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.124 -0.56 . . . . 0.0 112.716 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -57.3 -46.52 83.1 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.284 179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.439 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 51.5 m-85 -105.1 22.01 16.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.356 -177.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.8 85.44 6.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.315 0.579 . . . . 0.0 109.47 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.466 ' HB3' ' HG3' ' A' ' 10' ' ' ARG . 33.9 m-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.671 -177.605 . . . . . . . . 1 1 . 1 stop_ save_