data_1egf_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 1egf _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -114.47 138.72 50.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' HIS . 4.1 t80 -146.43 132.46 9.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.58 3.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.83 151.61 19.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.9 t -178.07 89.11 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 179.04 6.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 m -92.0 17.72 8.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.428 1.08 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.5 m -78.1 -19.05 54.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.525 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 46.3 m-85 -92.26 -98.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER 153.89 88.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.376 1.048 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' CYS . . . 42.93 46.9 6.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.375 1.047 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.9 t80 -34.48 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 111.022 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m -103.89 122.37 45.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 108.257 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -127.21 166.5 17.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.395 1.06 . . . . 0.0 109.352 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.467 ' OD1' ' CB ' ' A' ' 42' ' ' CYS . 5.0 m120 80.33 -50.93 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.6 80.13 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.409 1.068 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.448 ' CA ' ' O ' ' A' ' 32' ' ' ASN . . . -151.94 156.74 26.86 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.06 165.02 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 2.0 t -113.39 136.42 52.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 108.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.437 ' C ' ' SD ' ' A' ' 21' ' ' MET . 2.1 ppp? -145.54 138.54 26.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.763 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 9.6 t-160 -90.03 146.84 24.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.122 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -110.22 155.1 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -112.05 -6.16 14.21 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.8 t -58.68 -29.04 66.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 110.049 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -158.08 24.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.02 29.81 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' ILE . 23.3 t -99.03 159.54 14.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.602 1.189 . . . . 0.0 109.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.763 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 51.1 m-85 -110.33 134.58 52.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.598 1.186 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 31' ' ' CYS . 5.1 t -122.94 -174.03 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.478 ' N ' ' OG1' ' A' ' 30' ' ' THR . 1.0 OUTLIER -150.29 156.1 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 108.326 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.448 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 35.7 p-10 -126.43 134.33 51.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.619 1.199 . . . . 0.0 109.267 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.32 -144.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 108.265 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 37' ' ' TYR . 14.4 m -143.5 178.58 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' VAL . 3.9 mt -37.98 132.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.642 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 80.76 8.3 87.64 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 91.3 m-85 -166.1 134.75 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 111.006 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER 179.88 -164.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.522 ' N ' ' OG ' ' A' ' 38' ' ' SER . . . 104.14 -132.97 11.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.413 1.071 . . . . 0.0 111.046 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' OD1' ' CE2' ' A' ' 13' ' ' TYR . 10.4 t70 -73.15 -14.62 61.4 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 0.735 . . . . 0.0 109.225 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -166.43 -87.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.467 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 89.8 m -148.89 18.21 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.573 1.171 . . . . 0.0 108.257 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' ARG . 27.2 tt0 -66.55 -48.7 68.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.39 1.056 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.1 m -66.21 69.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.484 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' CA ' ' O ' ' A' ' 36' ' ' GLY . 16.0 ptm180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.386 1.054 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.7 m120 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.594 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 67.5 m -162.96 144.29 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.891 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.601 ' O ' ' N ' ' A' ' 22' ' ' HIS . 3.2 m-85 -143.36 133.91 12.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.81 0.96 Allowed 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 20' ' ' CYS . . . -150.12 144.26 11.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.6 94.94 0.57 Allowed Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.18 3.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.563 1.822 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.4 p -53.99 -20.35 6.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.955 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -46.89 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.27 -58.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 t70 58.1 80.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' CYS . . . 107.32 40.27 1.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.408 1.068 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -41.33 -26.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.065 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.156 ' SG ' ' CB ' ' A' ' 31' ' ' CYS . 48.4 m -110.22 156.8 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.32 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.607 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -144.95 138.37 26.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.607 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER 21.81 56.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -158.97 -89.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.71 -157.41 11.73 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.506 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 15.0 t -116.37 154.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.406 0.709 . . . . 0.0 109.285 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 8.9 t -71.24 137.68 48.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.59 1.181 . . . . 0.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.52 ' O ' ' CG2' ' A' ' 30' ' ' THR . 1.2 mtp -146.66 114.98 6.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.613 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 19.0 t-80 -92.03 134.15 35.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.601 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -89.07 162.95 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -124.0 -3.53 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.0 p -63.52 -27.92 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.083 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.49 22.74 0.47 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.552 1.158 . . . . 0.0 109.392 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.63 29.06 18.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 29.4 t -92.73 160.93 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.019 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.613 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 31.8 m-85 -110.69 138.45 47.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 111.055 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 21' ' ' MET . 15.1 t -129.84 -166.52 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 1.156 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -160.58 123.76 3.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 108.285 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 19' ' ' VAL . 12.4 p30 -85.97 86.05 7.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.414 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.131 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 0.4 OUTLIER -64.45 -160.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.326 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -141.07 -170.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.36 150.48 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 45.45 24.42 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.438 ' O ' ' O ' ' A' ' 34' ' ' VAL . 12.0 m-85 -149.92 118.7 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -163.99 -177.15 4.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 109.69 57.33 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.426 1.078 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 7.4 t70 70.31 -59.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.339 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.529 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 7.3 mtm180 -100.2 -71.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 1.131 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.1 m 157.36 42.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 108.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -89.6 -31.6 17.5 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -81.58 97.39 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.353 1.033 . . . . 0.0 110.306 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -104.39 133.61 49.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 22' ' ' HIS . 51.2 t80 -130.06 136.06 28.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.377 1.048 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 113.37 3.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.85 155.97 23.97 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.402 1.064 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 3.1 t -179.7 101.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -176.17 2.74 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.3 p -88.9 17.01 6.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.4 t -80.66 -42.8 21.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.075 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.786 ' CG ' ' CD2' ' A' ' 13' ' ' TYR . 2.4 m-85 -100.67 13.96 33.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 43.98 52.84 6.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 88.63 -27.59 7.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.148 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.786 ' CD2' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 60.38 11.16 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 110.961 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 2.6 m -133.06 124.39 27.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.365 1.041 . . . . 0.0 108.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -122.15 176.65 5.72 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.524 1.14 . . . . 0.0 109.393 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 70.02 -55.83 0.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.398 1.061 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 156.32 81.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.391 1.057 . . . . 0.0 111.027 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.09 29.49 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 t -93.05 164.92 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.444 0.732 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.4 t -107.69 144.9 34.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 108.268 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.6 mtp -151.01 133.91 15.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.63 ' NE2' ' CE1' ' A' ' 29' ' ' TYR . 2.8 t-160 -84.43 153.95 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.564 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -109.58 -19.47 6.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 23' ' ' ILE . 8.1 pt-20 46.75 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER 83.6 -33.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.75 12.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.86 37.52 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.61 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.0 t -94.89 143.32 26.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 110.04 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.63 ' CE1' ' NE2' ' A' ' 22' ' ' HIS . 26.0 m-85 -121.41 142.41 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 31' ' ' CYS . 5.5 t -130.63 -177.27 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' N ' ' OG1' ' A' ' 30' ' ' THR . 0.8 OUTLIER -156.01 147.1 22.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 108.243 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 19' ' ' VAL . 11.2 p-10 -119.01 118.53 31.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 6.8 t -84.03 -106.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 108.339 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.6 -169.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 mt -51.17 137.92 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 37' ' ' TYR . . . 47.89 32.9 9.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.591 1.182 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 5.4 m-85 -149.19 121.45 8.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 0.759 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 t -177.65 -140.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 99.64 41.86 2.83 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 9.3 t70 87.92 -35.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 0.793 . . . . 0.0 109.342 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -128.26 -85.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 45.0 t 176.86 35.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -97.74 -22.55 16.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 m -96.28 102.85 14.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.354 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 24' ' ' GLU . 13.4 m120 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -113.85 136.82 52.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' HIS . 71.7 t80 -143.72 126.37 8.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 102.18 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.595 1.84 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.2 157.03 26.99 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.418 1.074 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 177.9 97.61 0.14 Allowed Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -75.04 173.46 14.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.597 1.841 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -51.91 -27.24 12.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t -66.8 -18.06 65.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.057 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 29' ' ' TYR . 74.5 m-85 -123.08 51.74 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.04 47.56 0.87 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.94 37.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CZ ' ' O ' ' A' ' 29' ' ' TYR . 6.6 t80 -99.48 -14.07 19.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -106.92 160.4 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.92 -161.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.381 1.051 . . . . 0.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -60.07 -13.75 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.225 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -144.63 74.41 0.31 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 14' ' ' CYS . . . -164.95 133.03 2.84 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.2 t -98.65 131.99 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 0.813 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -69.43 127.75 34.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 108.328 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.1 ptm -143.32 168.04 20.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.642 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.7 t-80 -126.81 136.31 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.543 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.582 ' N ' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -103.87 119.46 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 1' ' ' ASN . 1.2 mm-40 -79.79 -17.25 53.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.7 p -57.8 -24.44 57.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mt -155.03 21.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 46.62 39.97 7.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.642 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 32.9 t -99.24 164.35 12.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 10' ' ' TYR . 14.1 m-85 -119.37 116.61 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.4 t -122.27 -165.17 1.24 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.541 1.151 . . . . 0.0 110.455 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 1.5 m -146.06 118.4 8.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 108.348 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.6 OUTLIER -63.06 100.54 0.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.072 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -76.27 -159.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 108.349 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 37' ' ' TYR . 6.0 m -141.15 -169.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.651 1.22 . . . . 0.0 109.288 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' TYR . 1.3 mt -57.71 154.64 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.321 1.013 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 36.98 29.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' ILE . 7.4 m-85 -151.68 118.81 5.89 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.479 0.752 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -160.54 -175.39 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.941 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 106.71 63.55 0.6 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 0.9 OUTLIER 67.89 -66.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.532 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -96.99 -71.77 0.67 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 1.072 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER 156.94 46.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.09 . . . . 0.0 108.313 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -92.04 -19.97 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.8 m -95.2 113.01 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 37' ' ' TYR . 3.4 mtm-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m -75.21 137.08 41.01 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.529 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 67.9 t80 -142.5 138.45 16.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.811 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.7 160.66 31.24 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.0 96.88 0.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -177.94 3.82 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.595 1.84 . . . . 0.0 111.038 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -60.92 -17.58 51.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.1 t -41.68 -54.85 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.624 ' CD2' ' CD1' ' A' ' 13' ' ' TYR . 16.7 m-85 -97.52 -56.78 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 60.87 79.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.04 35.03 5.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.624 ' CD1' ' CD2' ' A' ' 10' ' ' TYR . 3.6 t80 -48.06 -23.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.736 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.094 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -129.43 130.44 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 108.322 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -133.69 141.76 47.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.629 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER 32.94 63.39 0.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.406 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.483 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . -167.87 -79.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.4 -141.79 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 24.1 t -128.36 170.92 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 0.767 . . . . 0.0 109.393 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.9 t -89.45 148.27 23.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.411 1.07 . . . . 0.0 108.28 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.2 mtp -138.63 163.72 31.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.567 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 2.6 t-160 -122.64 136.12 54.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.652 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -87.35 -32.56 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.08 -57.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' ILE . 29.9 t -53.88 -18.48 3.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.117 . . . . 0.0 109.949 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -132.09 15.52 4.67 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 43.65 29.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 109.258 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.516 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 21.5 t -107.15 151.62 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.618 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 84.8 m-85 -110.83 101.28 9.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 21' ' ' MET . 12.9 t -76.98 -166.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 1.094 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -155.59 109.56 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.321 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.465 ' OD1' ' O ' ' A' ' 19' ' ' VAL . 35.8 p30 -83.72 82.31 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.399 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -59.76 -157.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 108.331 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -149.14 -164.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.236 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.423 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -69.05 137.14 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 109.288 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' ' CD1' ' A' ' 37' ' ' TYR . . . 70.03 22.83 77.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 16' ' ' ASN . 37.6 m-85 -166.42 123.27 1.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 37' ' ' TYR . 49.4 m -170.3 -179.13 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 113.36 51.35 0.51 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 10.0 t70 71.03 -60.66 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 0.804 . . . . 0.0 109.228 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 28.1 mtp-105 -86.65 -84.09 0.18 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 1.399 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.2 m 153.95 94.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.368 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.457 ' OE1' ' N ' ' A' ' 44' ' ' THR . 1.4 pm0 -156.93 -39.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 0.0 110.268 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.457 ' N ' ' OE1' ' A' ' 43' ' ' GLN . 2.4 m -78.32 126.16 30.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.36 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.2 m120 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -79.29 129.73 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' HIS . 34.4 t80 -130.29 141.41 41.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.454 ' O ' ' CE2' ' A' ' 3' ' ' TYR . 18.4 Cg_endo -75.02 121.29 6.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.43 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -167.4 146.57 10.82 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.449 1.093 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' A' ' 5' ' ' GLY . 1.9 m -157.23 78.76 3.67 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -177.76 3.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.5 p -78.0 0.67 23.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.051 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -52.45 -61.29 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.606 1.191 . . . . 0.0 110.006 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.454 ' CE1' ' CD1' ' A' ' 29' ' ' TYR . 11.9 p90 -116.94 -53.32 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.43 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 24.6 t70 49.09 70.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.12 41.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -91.03 16.08 10.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 0.807 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -134.91 108.27 7.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.636 1.21 . . . . 0.0 108.251 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.53 159.64 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 74.48 -53.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.234 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' GLY . . . 178.92 -73.46 0.07 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.403 1.064 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . 34.84 -154.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -143.32 165.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.8 t -95.91 137.01 35.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.598 1.186 . . . . 0.0 108.365 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' THR . 10.1 mmm -158.33 127.49 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.682 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 14.0 t-80 -97.46 153.83 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -114.58 167.49 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.5 mm-40 -120.44 -178.51 3.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 3.0 t 87.36 -31.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.67 15.55 1.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.15 29.61 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.637 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.6 OUTLIER -76.1 153.39 36.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.682 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 84.4 m-85 -114.34 150.99 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' MET . 10.1 t -141.16 -174.53 4.04 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -157.44 136.51 11.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.19 . . . . 0.0 108.265 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.41 ' CG ' ' CG1' ' A' ' 19' ' ' VAL . 9.0 m-20 -70.01 150.88 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.113 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 1.6 t -127.45 -152.7 0.53 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 108.268 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 37' ' ' TYR . 26.0 m -147.94 179.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.9 mt -61.24 124.57 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.369 1.043 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 90.78 14.04 58.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.623 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 67.8 m-85 -164.98 138.4 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.9 m -167.51 173.32 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.951 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.39 -166.1 20.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.95 -17.19 8.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 0.802 . . . . 0.0 109.273 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 13' ' ' TYR . 18.7 mtt85 -144.11 -78.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.239 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 1.113 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER 169.87 66.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.267 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.419 ' C ' ' CD ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -120.89 -33.35 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -76.17 110.32 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -76.91 143.52 39.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 22' ' ' HIS . 68.4 t80 -136.66 133.36 18.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.077 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 108.02 2.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -164.09 155.36 26.7 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.2 m 178.03 107.13 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -74.98 -175.47 2.38 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.423 1.749 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -52.25 -20.42 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 110.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.5 t -77.19 4.23 10.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.703 ' CE2' ' CB ' ' A' ' 29' ' ' TYR . 31.9 m-85 -143.62 83.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.06 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.09 55.63 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 14' ' ' CYS . . . 98.38 -32.28 7.13 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.648 ' CE1' ' CE2' ' A' ' 10' ' ' TYR . 1.2 t80 67.86 -43.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 0.826 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.506 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 34.1 m -103.6 119.65 39.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -101.52 139.87 36.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER 32.25 58.35 0.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . 169.92 105.99 0.19 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.27 -156.07 1.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -131.04 -178.23 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -79.22 161.53 26.31 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.552 1.157 . . . . 0.0 108.327 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.526 ' O ' ' CG2' ' A' ' 30' ' ' THR . 0.2 OUTLIER -154.65 108.51 2.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 28' ' ' SER . 9.0 t-80 -74.51 150.2 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.577 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -113.59 163.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -115.98 -7.94 11.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -60.59 -29.09 68.98 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -159.7 25.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.374 1.046 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.445 ' O ' ' NE2' ' A' ' 22' ' ' HIS . 0.3 OUTLIER 57.26 26.44 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 30.0 t -86.7 163.62 17.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.703 ' CB ' ' CE2' ' A' ' 10' ' ' TYR . 60.7 m-85 -115.03 117.97 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 21' ' ' MET . 14.7 t -101.03 -179.6 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.381 1.05 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -134.5 130.34 36.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 108.34 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.494 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 1.4 p-10 -121.96 97.08 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.088 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 64.5 m -84.89 -118.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 108.334 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.13 -169.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.434 ' C ' ' N ' ' A' ' 37' ' ' TYR . 2.1 pt -52.28 140.2 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 44' ' ' THR . . . 53.21 10.08 1.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.614 1.196 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' N ' ' C ' ' A' ' 35' ' ' ILE . 5.3 m-85 -125.59 119.25 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.982 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 t -167.04 -161.57 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 110.042 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 109.02 169.3 20.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER -37.66 -30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 0.802 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.532 ' CB ' ' O ' ' A' ' 13' ' ' TYR . 33.3 mtm-85 -132.3 -64.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 1.088 ' SG ' ' CB ' ' A' ' 33' ' ' CYS . 1.2 m 173.69 22.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 108.246 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 45' ' ' ARG . 20.9 tt0 -65.87 -30.1 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.361 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 36' ' ' GLY . 5.4 m -66.21 62.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 43' ' ' GLN . 2.2 ttp-105 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.238 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' GLU . 53.8 m-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -114.3 126.87 55.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.951 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 22' ' ' HIS . 47.9 t80 -133.22 140.1 36.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.613 1.196 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 118.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.525 1.802 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.7 150.92 11.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -172.4 100.41 0.36 Allowed Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.0 p -86.18 13.09 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -68.11 -48.34 65.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.889 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -98.34 -58.49 1.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.424 1.078 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 59.25 78.31 0.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.36 40.82 0.42 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 29' ' ' TYR . 2.2 t80 -87.63 20.18 3.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.37 0.688 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -140.33 134.24 30.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.261 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -142.85 174.13 10.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 42' ' ' CYS . 2.5 m-20 41.42 54.2 3.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.85 77.49 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.925 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' CYS . . . -138.87 132.7 5.85 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -89.75 169.86 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.4 t -80.89 138.46 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.237 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.492 ' O ' ' CG2' ' A' ' 30' ' ' THR . 2.4 mmm -160.96 113.99 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.698 ' CD2' ' CD2' ' A' ' 29' ' ' TYR . 18.8 t-80 -92.35 132.78 36.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.623 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -82.91 154.48 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 1' ' ' ASN . 11.2 mt-10 -121.49 -7.61 9.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 0.0 110.384 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.482 ' O ' ' CD2' ' A' ' 26' ' ' LEU . 33.0 t -68.9 -38.63 79.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.634 1.209 . . . . 0.0 109.925 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -130.31 12.74 5.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.7 27.54 16.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.626 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 7.5 t -95.7 170.35 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.075 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 89.1 m-85 -111.41 142.13 44.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 21' ' ' MET . 10.9 t -140.28 -162.78 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 19' ' ' VAL . 1.3 m -154.47 133.37 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.498 1.124 . . . . 0.0 108.399 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.32 109.5 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.313 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 8.8 m -88.98 -153.67 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 37' ' ' TYR . 3.3 m -147.5 -177.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mt -45.86 158.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.39 1.056 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.73 33.42 0.14 Allowed Glycine 0 CA--C 1.528 0.872 0 O-C-N 124.428 1.08 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.414 ' O ' ' O ' ' A' ' 34' ' ' VAL . 15.7 m-85 -161.71 103.42 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.385 0.697 . . . . 0.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 44' ' ' THR . 85.0 p -160.62 168.19 25.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.64 41.06 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' OD2' ' CE2' ' A' ' 13' ' ' TYR . 18.1 t70 60.96 117.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.237 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.9 ttp-105 73.37 1.88 4.12 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 1.313 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.8 m 65.2 87.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 108.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.76 -46.95 2.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 38' ' ' SER . 2.3 m -65.46 98.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.4 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.393 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -83.16 132.19 35.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.491 ' N ' ' O ' ' A' ' 22' ' ' HIS . 61.6 t80 -131.44 132.93 23.85 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 115.06 4.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.401 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -177.33 156.87 21.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.401 ' SG ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 172.56 108.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' TYR . 18.0 Cg_endo -75.02 175.72 10.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -50.57 -26.38 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.083 . . . . 0.0 109.944 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t -66.48 -26.71 67.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 65.3 m-85 -117.19 47.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -99.21 46.6 0.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.436 ' O ' ' NH1' ' A' ' 41' ' ' ARG . . . 171.9 38.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 40' ' ' ASP . 1.1 t80 -99.03 12.01 37.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.8 122.72 15.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -129.65 173.73 10.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 44.82 65.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.403 1.064 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.19 76.59 0.17 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.27 145.96 17.91 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' CG1' ' ND2' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -96.28 166.01 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -98.85 137.05 37.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.321 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 30' ' ' THR . 2.4 tpt -155.56 131.88 10.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.628 ' CD2' ' O ' ' A' ' 28' ' ' SER . 16.2 t-80 -103.76 136.66 43.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.631 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -91.84 160.76 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -118.61 -9.06 10.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 m -55.67 -30.86 61.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -157.2 24.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.94 25.25 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.628 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 7.4 t -84.32 162.68 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 10' ' ' TYR . 83.1 m-85 -112.24 139.12 48.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' MET . 10.0 t -129.11 -172.48 2.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 1.2 m -161.16 134.33 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 108.348 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -96.8 96.22 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.127 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 2.5 t -60.3 -121.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 108.339 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.558 ' CG1' ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -147.35 -155.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.558 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 67.4 mt -49.01 148.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 35' ' ' ILE . . . 32.38 39.11 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.08 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ILE . 11.0 m-85 -157.82 125.58 5.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.536 0.786 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' THR . 4.8 m -169.63 -160.44 0.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.6 -165.06 12.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 30.6 m-20 -63.04 -13.49 36.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 12' ' ' GLY . 56.8 mtp85 -142.06 -87.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 1.127 ' SG ' ' CB ' ' A' ' 33' ' ' CYS . 39.9 t 176.88 33.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 0.0 108.258 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -106.0 2.05 27.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 38' ' ' SER . 7.8 m -112.76 127.06 56.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.604 1.19 . . . . 0.0 110.372 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.279 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' ILE . 12.9 m120 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -120.34 122.27 40.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 22' ' ' HIS . 45.7 t80 -129.04 137.82 31.84 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.569 1.168 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.1 2.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -167.21 154.22 24.36 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.41 1.069 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -178.44 100.82 0.21 Allowed Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -176.33 2.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -87.3 14.29 8.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 109.939 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 m -74.99 -41.84 58.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -84.38 -67.82 0.77 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.7 75.6 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.97 37.43 0.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE2' ' O ' ' A' ' 29' ' ' TYR . 2.6 t80 -103.15 -6.26 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -132.02 111.09 11.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 1.054 . . . . 0.0 108.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -124.56 173.53 8.42 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.448 ' ND2' ' CD2' ' A' ' 37' ' ' TYR . 72.8 m-20 52.74 67.59 0.96 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 49.42 32.58 15.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 32' ' ' ASN . . . -84.69 160.33 35.62 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 20' ' ' CYS . 45.2 t -114.38 170.77 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.65 0.853 . . . . 0.0 109.202 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.402 ' N ' ' CG1' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -112.65 138.67 49.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' THR . 3.4 mmt -154.01 156.97 38.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.517 ' CD2' ' CG ' ' A' ' 29' ' ' TYR . 3.5 t-160 -111.01 157.75 19.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.699 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -110.17 -19.06 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 23' ' ' ILE . 5.5 tt0 52.78 170.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 77.18 -25.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.094 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.413 ' C ' ' N ' ' A' ' 28' ' ' SER . 2.3 mt -143.2 15.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 49.05 22.3 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.515 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -81.2 115.75 20.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.976 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CG ' ' CD2' ' A' ' 22' ' ' HIS . 64.6 m-85 -98.29 127.52 44.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.496 ' OG1' ' N ' ' A' ' 31' ' ' CYS . 5.3 t -105.21 -170.68 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.54 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.496 ' N ' ' OG1' ' A' ' 30' ' ' THR . 1.0 OUTLIER -160.78 131.25 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.639 1.212 . . . . 0.0 108.308 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.504 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 29.6 t-20 -78.88 156.87 28.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.285 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER -119.94 -150.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 108.311 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.547 ' O ' ' O ' ' A' ' 37' ' ' TYR . 1.2 p -157.72 -162.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.363 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -72.82 128.7 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.644 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 89.94 7.76 67.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.391 1.057 . . . . 0.0 111.04 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 36' ' ' GLY . 45.0 m-85 -164.65 142.04 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 t -162.12 164.25 28.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.47 -179.13 17.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.1 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' OD2' ' OH ' ' A' ' 13' ' ' TYR . 25.4 t70 -71.11 -13.66 62.04 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -138.25 14.58 2.81 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 1.285 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 11.8 t 48.07 73.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.409 ' CD ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -125.49 -32.99 2.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -69.58 105.15 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.538 ' CG ' ' CE2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.233 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -111.67 120.28 41.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.527 ' O ' ' N ' ' A' ' 22' ' ' HIS . 64.3 t80 -120.93 140.72 31.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 109.08 2.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.18 157.86 19.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.4 p 168.72 119.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 -175.88 2.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.528 1.804 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.0 t -86.34 13.6 7.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.908 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -71.81 -36.18 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.091 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.792 ' CG ' ' CD2' ' A' ' 13' ' ' TYR . 65.6 m-85 -99.14 -8.93 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 62.59 55.78 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 88.44 -31.92 4.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.792 ' CD2' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 58.76 13.44 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.593 0.819 . . . . 0.0 111.082 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.403 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -136.61 120.5 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -119.53 176.45 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.171 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 42' ' ' CYS . 68.9 m-80 65.32 -59.92 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.555 1.16 . . . . 0.0 109.389 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 166.39 76.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.43 156.24 23.95 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.487 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 2.1 t -91.45 158.81 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.586 0.815 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.58 141.79 28.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.32 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 tpt -156.07 128.46 7.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.681 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 9.3 t-160 -94.6 148.8 21.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -111.93 166.13 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 25' ' ' SER . 24.6 mt-10 -117.14 -178.25 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 110.219 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.8 t 88.44 -29.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.929 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.79 18.07 0.69 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.161 . . . . 0.0 109.387 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 48.86 38.32 11.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.2 t -84.03 154.94 22.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.681 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 72.8 m-85 -114.94 144.07 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 31' ' ' CYS . 8.1 t -136.18 -176.48 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 1.403 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -155.72 123.58 5.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 108.386 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 19' ' ' VAL . 14.6 p-10 -77.9 109.11 11.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.212 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.4 m -78.41 -145.37 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.533 1.145 . . . . 0.0 108.237 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.533 ' CG2' ' N ' ' A' ' 35' ' ' ILE . 1.8 m -144.65 -178.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.533 ' N ' ' CG2' ' A' ' 34' ' ' VAL . 1.7 mm -69.65 102.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 116.82 8.38 12.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.399 1.062 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.577 ' CD1' ' C ' ' A' ' 36' ' ' GLY . 31.2 m-85 -148.92 130.41 14.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 0.725 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 p -161.56 164.26 29.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 135.98 48.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' GLY . 4.9 p-10 37.96 38.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 0.734 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.472 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 10.1 ttp180 177.08 -27.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.64 1.212 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.472 ' SG ' ' C ' ' A' ' 41' ' ' ARG . 1.6 m 81.76 79.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.465 ' OE1' ' NE ' ' A' ' 41' ' ' ARG . 4.9 mt-30 -134.49 -37.7 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 m -79.39 118.15 21.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.346 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . 0.453 ' ND2' ' OE1' ' A' ' 24' ' ' GLU . 5.2 p-10 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -71.66 122.52 20.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.0 t80 -125.71 135.16 26.62 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.368 1.043 . . . . 0.0 110.978 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.97 4.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -170.04 152.57 19.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -174.8 94.74 0.29 Allowed Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 10' ' ' TYR . 18.0 Cg_endo -74.96 -178.29 4.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -53.78 -24.41 15.19 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.26 4.18 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.405 1.065 . . . . 0.0 110.022 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.709 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 60.8 m-85 -143.33 77.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.5 1.125 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.29 56.17 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.382 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . 99.84 -31.76 8.03 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.528 1.143 . . . . 0.0 111.083 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' CD2' ' A' ' 10' ' ' TYR . 5.4 t80 47.15 20.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.494 0.761 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 1.394 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 36.0 m -132.01 145.9 51.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -145.55 162.95 36.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.58 1.175 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.9 m120 76.78 -53.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.37 80.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.78 149.53 21.16 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' ASN . 13.7 t -90.94 151.66 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 1.8 t -80.18 135.86 36.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 108.412 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 tpt -155.42 123.45 5.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 28' ' ' SER . 11.2 t-80 -89.66 154.08 20.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.2 OUTLIER -116.85 168.87 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 25' ' ' SER . 8.5 mt-10 -122.08 -178.32 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.9 t 88.7 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.46 17.48 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.201 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.84 38.25 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.621 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.6 t -85.43 156.45 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.936 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.709 ' CD1' ' CZ ' ' A' ' 10' ' ' TYR . 63.5 m-85 -117.09 146.84 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.9 t -139.65 -168.95 2.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 1.394 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.2 m -154.53 134.13 12.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 108.228 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' VAL . 5.0 m-20 -70.08 105.69 2.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.138 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 3.4 m -90.98 -162.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 108.235 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 m -147.77 -175.04 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -42.81 132.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.55 -35.12 0.17 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.609 1.193 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.583 ' CE1' ' CG ' ' A' ' 45' ' ' ARG . 38.8 m-85 -77.89 117.74 19.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.4 p -152.61 -160.13 1.1 Allowed 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 42' ' ' CYS . . . 74.5 132.99 0.27 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 7.7 p-10 -33.56 117.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.618 0.834 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 9.7 mtp85 85.85 16.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.578 ' N ' ' O ' ' A' ' 39' ' ' GLY . 3.6 m 41.18 60.08 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 108.367 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.01 -33.11 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.1 m -69.49 89.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.583 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 5.5 ttm105 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.466 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 18.3 m -155.03 158.18 38.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 22' ' ' HIS . 30.5 m-85 -143.33 140.47 17.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 83.68 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.407 1.741 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' SG ' ' A' ' 20' ' ' CYS . . . -142.43 163.17 27.21 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.05 111.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.606 ' O ' ' CB ' ' A' ' 8' ' ' SER . 18.5 Cg_endo -75.04 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.453 1.765 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.606 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 3.6 p 95.05 -6.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.964 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -76.65 -0.73 24.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.586 ' OH ' ' CD1' ' A' ' 29' ' ' TYR . 47.3 m-85 -85.38 -89.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER 157.33 89.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 14' ' ' CYS . . . 39.42 52.51 2.91 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.423 1.077 . . . . 0.0 111.039 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -43.87 -21.93 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 0.715 . . . . 0.0 111.012 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -130.02 109.83 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.579 1.175 . . . . 0.0 108.312 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -125.44 165.33 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.235 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER 82.11 -54.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.52 78.56 0.03 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -151.25 149.24 20.99 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.59 168.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.564 0.803 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 10.6 t -100.4 127.2 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 108.288 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.526 ' O ' ' CG2' ' A' ' 30' ' ' THR . 4.0 mmt -138.28 117.19 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.838 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 10.1 t-160 -85.79 137.6 32.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -97.11 157.38 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.366 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.601 ' OE2' ' CZ ' ' A' ' 3' ' ' TYR . 2.0 mt-10 -119.01 -5.67 10.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.387 1.054 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 t -57.58 -27.19 62.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -161.86 26.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.69 25.28 14.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.572 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.5 t -87.06 165.73 15.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.023 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.838 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 5.9 m-85 -118.32 147.95 42.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 21' ' ' MET . 15.3 t -138.22 -175.0 3.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -153.95 127.85 8.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 108.266 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -77.17 94.45 4.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.383 1.052 . . . . 0.0 109.332 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.154 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 2.3 t -61.13 -147.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -151.0 -162.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.213 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.443 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 1.1 mm -77.09 128.2 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.461 1.1 . . . . 0.0 109.222 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.616 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 90.68 3.7 70.9 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.562 1.164 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 36' ' ' GLY . 64.5 m-85 -157.29 143.89 18.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.033 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 m -160.19 -178.05 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.951 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 41' ' ' ARG . . . 108.48 177.31 21.89 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.611 ' OD2' ' CE1' ' A' ' 13' ' ' TYR . 27.2 t70 -45.16 -25.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.542 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 4.0 mtt180 -128.4 -82.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 1.154 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER 172.15 26.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 108.304 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -27.54 57.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 m -75.18 91.78 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 0.0 110.427 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.614 ' CG ' ' CE2' ' A' ' 37' ' ' TYR . 2.2 mtm-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -74.69 130.58 39.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.439 1.087 . . . . 0.0 109.897 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 22' ' ' HIS . 63.4 t80 -125.38 132.52 24.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 108.42 2.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.574 1.828 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.24 150.64 22.71 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 10' ' ' TYR . 1.7 t -177.07 82.99 0.25 Allowed Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 176.51 9.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.401 1.737 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.0 t -56.14 -21.32 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.2 t -81.87 6.57 15.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.97 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.727 ' CZ ' ' CG ' ' A' ' 29' ' ' TYR . 24.1 m-85 -138.57 68.53 1.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -113.77 55.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.376 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.51 42.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' C ' ' CG ' ' A' ' 41' ' ' ARG . 7.3 t80 -102.66 12.1 36.8 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.517 0.775 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 1.6 m -133.25 121.69 22.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 108.305 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 13.5 mt -111.76 -175.94 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 42' ' ' CYS . 79.2 m-20 48.16 23.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 15' ' ' LEU . . . 68.21 70.22 1.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.4 163.73 14.77 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.1 t -88.23 168.35 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.397 0.704 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.0 t -96.4 136.49 36.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -154.08 135.9 14.51 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.538 1.148 . . . . 0.0 111.008 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.688 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 8.7 t-160 -102.74 148.44 25.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.621 1.201 . . . . 0.0 109.547 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -109.37 155.47 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -116.01 -18.39 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.5 t -54.59 -20.26 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.178 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 1.3 mt -164.04 31.98 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 3.1 p-10 46.1 28.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.607 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.6 t -89.21 169.02 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.727 ' CG ' ' CZ ' ' A' ' 10' ' ' TYR . 11.8 m-85 -116.31 144.06 44.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' MET . 13.7 t -133.73 -170.15 2.44 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.461 1.1 . . . . 0.0 110.466 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -157.77 132.96 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -72.01 90.7 1.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.212 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 4.7 m -75.12 -135.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 108.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.1 -176.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.14 151.8 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.288 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.87 22.51 2.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.624 1.203 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.436 ' OH ' ' CD ' ' A' ' 45' ' ' ARG . 10.3 m-85 -147.36 114.05 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 0.717 . . . . 0.0 110.987 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 p -164.78 -154.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.581 1.176 . . . . 0.0 109.958 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.52 -73.62 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 22.0 t70 -177.74 108.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.479 ' CG ' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 78.43 13.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.174 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 1.212 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 3.5 m 68.32 69.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 108.305 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.525 ' CA ' ' NE2' ' A' ' 43' ' ' GLN . 1.2 tp60 -119.58 -44.56 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 110.326 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.3 m -65.72 72.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' GLN . 41.9 ttp-105 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -86.46 121.49 29.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' HIS . 61.8 t80 -126.3 135.49 27.25 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 122.18 7.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.532 ' O ' ' CB ' ' A' ' 6' ' ' CYS . . . 165.57 157.84 10.23 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.497 1.123 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 5' ' ' GLY . 1.8 p 157.43 89.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.504 ' C ' ' N ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.94 172.58 16.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.066 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 10' ' ' TYR . 8.5 t 47.39 15.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.123 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.504 ' N ' ' C ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 46.86 22.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.949 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 29' ' ' TYR . 1.7 m-85 31.39 38.36 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.554 1.159 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' SER . 22.4 t70 61.98 74.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.18 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.44 40.03 1.86 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -44.36 -24.54 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.496 0.762 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.49 143.18 50.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 108.297 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.33 173.25 14.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.531 ' ND2' ' CE1' ' A' ' 37' ' ' TYR . 80.2 m-20 52.53 66.4 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.24 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.45 34.36 59.7 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.22 122.83 7.67 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 t -82.81 161.15 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.6 0.824 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.7 t -98.65 133.99 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 108.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 73.3 mmm -154.26 117.78 4.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.622 ' CD2' ' O ' ' A' ' 28' ' ' SER . 16.3 t-80 -88.66 131.4 35.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.626 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -80.55 159.2 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 1' ' ' ASN . 39.7 mt-10 -119.26 -35.95 3.48 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.575 1.172 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.1 m -55.94 -36.92 68.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.557 1.161 . . . . 0.0 109.871 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.453 ' C ' ' N ' ' A' ' 28' ' ' SER . 0.2 OUTLIER -120.73 15.45 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 44.18 24.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.622 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -97.45 174.04 6.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.019 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 10' ' ' TYR . 41.5 m-85 -111.67 142.14 44.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -131.3 -171.65 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.441 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.45 ' N ' ' CG2' ' A' ' 30' ' ' THR . 1.5 m -162.56 118.89 1.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 108.245 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -74.51 93.46 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.61 1.194 . . . . 0.0 109.351 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 42' ' ' CYS . 7.7 m -67.01 -147.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.288 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.57 ' CG1' ' N ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -151.28 -162.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.57 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 1.3 mm -57.76 154.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.66 29.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.531 ' CE1' ' ND2' ' A' ' 16' ' ' ASN . 6.4 m-85 -151.47 116.56 5.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 0.76 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.1 p -161.27 -168.79 2.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 103.84 44.75 1.6 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.385 1.053 . . . . 0.0 110.905 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 39' ' ' GLY . 22.7 m-20 38.09 48.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.463 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 16.6 ttm105 174.6 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 1.8 m 83.7 20.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.438 ' NE2' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -83.88 -22.14 31.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.596 1.185 . . . . 0.0 110.239 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.438 ' N ' ' NE2' ' A' ' 43' ' ' GLN . 2.9 m -92.82 126.34 37.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.915 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ASN . . . . . 0.491 ' OD1' ' CB ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -75.19 128.96 36.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.5 t80 -126.55 139.3 34.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.044 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 113.96 3.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.428 1.751 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -170.63 151.93 17.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -174.78 95.94 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.82 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -86.62 11.15 13.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.403 1.065 . . . . 0.0 110.082 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 t -67.84 -50.3 57.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.949 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.614 ' OH ' ' CD2' ' A' ' 29' ' ' TYR . 8.6 m-85 -88.59 -62.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 t70 53.67 72.66 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.33 40.37 0.15 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.61 ' CE2' ' OD2' ' A' ' 40' ' ' ASP . 2.0 t80 -100.46 2.26 41.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -138.66 114.0 9.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 108.322 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD1' ' CB ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -110.68 -179.17 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.552 ' CG ' ' CD2' ' A' ' 37' ' ' TYR . 76.8 m-20 43.96 61.74 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.34 41.53 12.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.8 142.2 17.6 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.2 170.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.41 0.712 . . . . 0.0 109.208 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -113.67 138.51 50.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 108.319 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.87 132.29 11.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.571 1.17 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 28' ' ' SER . 10.8 t-160 -95.52 152.1 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.659 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -114.94 169.03 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.403 1.065 . . . . 0.0 109.352 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.4 mm-40 -122.55 -177.46 3.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.7 t 88.28 -29.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.1 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.3 17.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 50.86 38.4 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.066 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.605 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t -85.51 154.99 21.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.19 . . . . 0.0 109.959 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.614 ' CD2' ' OH ' ' A' ' 10' ' ' TYR . 19.4 m-85 -116.9 149.88 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 31' ' ' CYS . 9.3 t -139.6 -173.03 3.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' N ' ' OG1' ' A' ' 30' ' ' THR . 1.7 m -158.54 143.83 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.198 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -94.57 148.96 21.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.373 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.428 ' SG ' ' CB ' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -119.38 -159.43 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 108.315 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' A' ' 37' ' ' TYR . 1.2 m -149.42 159.87 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -34.47 138.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . 86.45 -33.77 3.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.618 1.199 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.552 ' CD2' ' CG ' ' A' ' 16' ' ' ASN . 57.5 m-85 -122.95 142.06 51.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 0.771 . . . . 0.0 111.049 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' GLN . 59.8 p -158.96 -178.54 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.933 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 114.38 159.11 12.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.61 ' OD2' ' CE2' ' A' ' 13' ' ' TYR . 35.2 t70 -36.35 -32.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 25.7 mtm-85 -122.67 -48.74 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.2 m 153.43 38.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 108.333 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.53 ' CG ' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -53.2 -55.32 25.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.53 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 1.2 m -56.63 139.3 50.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 36' ' ' GLY . 39.2 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -114.47 138.72 50.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' HIS . 4.1 t80 -146.43 132.46 9.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.58 3.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.83 151.61 19.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.9 t -178.07 89.11 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 179.04 6.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 110.956 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 m -92.0 17.72 8.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.428 1.08 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.5 m -78.1 -19.05 54.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.525 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 46.3 m-85 -92.26 -98.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER 153.89 88.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.376 1.048 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' CYS . . . 42.93 46.9 6.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.375 1.047 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.9 t80 -34.48 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 111.022 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m -103.89 122.37 45.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 108.257 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -127.21 166.5 17.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.395 1.06 . . . . 0.0 109.352 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.467 ' OD1' ' CB ' ' A' ' 42' ' ' CYS . 5.0 m120 80.33 -50.93 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.6 80.13 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.409 1.068 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' CA ' ' O ' ' A' ' 32' ' ' ASN . . . -151.94 156.74 26.86 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.06 165.02 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 2.0 t -113.39 136.42 52.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 108.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.437 ' C ' ' SD ' ' A' ' 21' ' ' MET . 2.1 ppp? -145.54 138.54 26.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.763 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 9.6 t-160 -90.03 146.84 24.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.122 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -110.22 155.1 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -112.05 -6.16 14.21 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.8 t -58.68 -29.04 66.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 110.049 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -158.08 24.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.02 29.81 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' ILE . 23.3 t -99.03 159.54 14.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.602 1.189 . . . . 0.0 109.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.763 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 51.1 m-85 -110.33 134.58 52.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.598 1.186 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.478 ' OG1' ' N ' ' A' ' 31' ' ' CYS . 5.1 t -122.94 -174.03 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.478 ' N ' ' OG1' ' A' ' 30' ' ' THR . 1.0 OUTLIER -150.29 156.1 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 108.326 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.448 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 35.7 p-10 -126.43 134.33 51.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.619 1.199 . . . . 0.0 109.267 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.32 -144.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 108.265 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 37' ' ' TYR . 14.4 m -143.5 178.58 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' VAL . 3.9 mt -37.98 132.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.642 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 80.76 8.3 87.64 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 91.3 m-85 -166.1 134.75 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 111.006 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.626 ' OG ' ' CZ3' ' A' ' 50' ' ' TRP . 0.2 OUTLIER 179.88 -164.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.522 ' N ' ' OG ' ' A' ' 38' ' ' SER . . . 104.14 -132.97 11.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.413 1.071 . . . . 0.0 111.046 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' OD1' ' CE2' ' A' ' 13' ' ' TYR . 10.4 t70 -73.15 -14.62 61.4 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 0.735 . . . . 0.0 109.225 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -166.43 -87.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.467 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 89.8 m -148.89 18.21 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.573 1.171 . . . . 0.0 108.257 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' ARG . 27.2 tt0 -66.55 -48.7 68.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.39 1.056 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 46' ' ' ASP . 30.1 m -66.21 69.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.484 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' CA ' ' O ' ' A' ' 36' ' ' GLY . 16.0 ptm180 -68.56 55.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.386 1.054 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.512 ' O ' ' CA ' ' A' ' 36' ' ' GLY . 10.5 t70 -129.34 179.43 5.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.353 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.625 ' O ' ' CZ2' ' A' ' 50' ' ' TRP . 3.2 mm? -82.82 -114.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' TRP . 0.5 OUTLIER 71.35 87.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.365 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.82 99.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.626 ' CZ3' ' OG ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -109.28 65.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -164.12 149.05 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.41 150.36 48.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.7 m120 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.594 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 67.5 m -162.96 144.29 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.891 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.601 ' O ' ' N ' ' A' ' 22' ' ' HIS . 3.2 m-85 -143.36 133.91 12.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.81 0.96 Allowed 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 20' ' ' CYS . . . -150.12 144.26 11.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.6 94.94 0.57 Allowed Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.18 3.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.563 1.822 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.4 p -53.99 -20.35 6.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.955 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -46.89 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.27 -58.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 t70 58.1 80.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' CYS . . . 107.32 40.27 1.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.408 1.068 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -41.33 -26.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.065 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.156 ' SG ' ' CB ' ' A' ' 31' ' ' CYS . 48.4 m -110.22 156.8 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.32 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.607 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -144.95 138.37 26.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.607 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER 21.81 56.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . -158.97 -89.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.71 -157.41 11.73 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.506 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 15.0 t -116.37 154.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.406 0.709 . . . . 0.0 109.285 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 8.9 t -71.24 137.68 48.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.59 1.181 . . . . 0.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.52 ' O ' ' CG2' ' A' ' 30' ' ' THR . 1.2 mtp -146.66 114.98 6.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.613 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 19.0 t-80 -92.03 134.15 35.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.601 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -89.07 162.95 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -124.0 -3.53 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.0 p -63.52 -27.92 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.083 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.49 22.74 0.47 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.552 1.158 . . . . 0.0 109.392 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.63 29.06 18.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 29.4 t -92.73 160.93 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.019 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.613 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 31.8 m-85 -110.69 138.45 47.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 111.055 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.52 ' CG2' ' O ' ' A' ' 21' ' ' MET . 15.1 t -129.84 -166.52 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 1.156 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -160.58 123.76 3.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 108.285 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.506 ' OD1' ' N ' ' A' ' 19' ' ' VAL . 12.4 p30 -85.97 86.05 7.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.414 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 1.131 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 0.4 OUTLIER -64.45 -160.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.326 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -141.07 -170.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.36 150.48 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 45.45 24.42 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.438 ' O ' ' O ' ' A' ' 34' ' ' VAL . 12.0 m-85 -149.92 118.7 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -163.99 -177.15 4.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 109.69 57.33 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.426 1.078 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 7.4 t70 70.31 -59.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.339 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.529 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 7.3 mtm180 -100.2 -71.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 1.131 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.1 m 157.36 42.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 108.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -89.6 -31.6 17.5 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -81.58 97.39 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.649 ' NH1' ' CZ3' ' A' ' 50' ' ' TRP . 2.1 ttp85 -81.35 90.93 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.353 1.033 . . . . 0.0 110.306 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.92 -148.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -131.7 -95.26 0.35 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER 77.79 75.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 110.24 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.709 ' O ' ' CG ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER 42.06 94.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.636 1.21 . . . . 0.0 108.039 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.649 ' CZ3' ' NH1' ' A' ' 45' ' ' ARG . 1.6 m0 -121.52 -178.24 3.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 108.045 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.39 149.76 49.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.208 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 pp -127.35 148.05 50.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.396 1.06 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.427 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -104.39 133.61 49.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 22' ' ' HIS . 51.2 t80 -130.06 136.06 28.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.377 1.048 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 113.37 3.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.85 155.97 23.97 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.402 1.064 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 3.1 t -179.7 101.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -176.17 2.74 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.3 p -88.9 17.01 6.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.4 t -80.66 -42.8 21.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.075 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.786 ' CG ' ' CD2' ' A' ' 13' ' ' TYR . 2.4 m-85 -100.67 13.96 33.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 43.98 52.84 6.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 88.63 -27.59 7.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.148 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.786 ' CD2' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 60.38 11.16 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 110.961 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 2.6 m -133.06 124.39 27.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.365 1.041 . . . . 0.0 108.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -122.15 176.65 5.72 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.524 1.14 . . . . 0.0 109.393 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 70.02 -55.83 0.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.398 1.061 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 156.32 81.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.391 1.057 . . . . 0.0 111.027 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.09 29.49 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 t -93.05 164.92 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.444 0.732 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.4 t -107.69 144.9 34.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 108.268 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.6 mtp -151.01 133.91 15.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.63 ' NE2' ' CE1' ' A' ' 29' ' ' TYR . 2.8 t-160 -84.43 153.95 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.564 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -109.58 -19.47 6.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 23' ' ' ILE . 8.1 pt-20 46.75 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER 83.6 -33.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.75 12.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.86 37.52 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.61 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.0 t -94.89 143.32 26.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 110.04 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.63 ' CE1' ' NE2' ' A' ' 22' ' ' HIS . 26.0 m-85 -121.41 142.41 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 31' ' ' CYS . 5.5 t -130.63 -177.27 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' N ' ' OG1' ' A' ' 30' ' ' THR . 0.8 OUTLIER -156.01 147.1 22.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 108.243 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 19' ' ' VAL . 11.2 p-10 -119.01 118.53 31.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 6.8 t -84.03 -106.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 108.339 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.6 -169.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 mt -51.17 137.92 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . 47.89 32.9 9.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.591 1.182 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' A' ' 36' ' ' GLY . 5.4 m-85 -149.19 121.45 8.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 0.759 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 t -177.65 -140.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 99.64 41.86 2.83 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 9.3 t70 87.92 -35.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 0.793 . . . . 0.0 109.342 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.1 mtt85 -128.26 -85.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 1.222 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 45.0 t 176.86 35.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -97.74 -22.55 16.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 m -96.28 102.85 14.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.354 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -102.9 106.73 17.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' GLY . 14.5 t70 -40.43 -91.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 4.4 mt -128.75 -48.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 0.0 109.223 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 23.6 ttt180 85.23 51.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.242 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -15.2 50.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 107.963 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 10.2 p-90 -81.67 81.82 7.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 107.997 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -141.14 -55.52 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -119.03 145.1 46.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.598 1.187 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 110.38 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 24' ' ' GLU . 13.4 m120 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -113.85 136.82 52.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' HIS . 71.7 t80 -143.72 126.37 8.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 102.18 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.595 1.84 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.2 157.03 26.99 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.418 1.074 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 177.9 97.61 0.14 Allowed Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -75.04 173.46 14.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.597 1.841 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -51.91 -27.24 12.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t -66.8 -18.06 65.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.057 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 29' ' ' TYR . 74.5 m-85 -123.08 51.74 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.04 47.56 0.87 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.94 37.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CZ ' ' O ' ' A' ' 29' ' ' TYR . 6.6 t80 -99.48 -14.07 19.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -106.92 160.4 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.92 -161.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.381 1.051 . . . . 0.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -60.07 -13.75 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.225 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -144.63 74.41 0.31 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 14' ' ' CYS . . . -164.95 133.03 2.84 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.2 t -98.65 131.99 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 0.813 . . . . 0.0 109.234 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -69.43 127.75 34.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 108.328 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.1 ptm -143.32 168.04 20.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.642 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.7 t-80 -126.81 136.31 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.543 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.582 ' N ' ' CD1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -103.87 119.46 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 1' ' ' ASN . 1.2 mm-40 -79.79 -17.25 53.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.7 p -57.8 -24.44 57.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mt -155.03 21.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 46.62 39.97 7.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.642 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 32.9 t -99.24 164.35 12.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 10' ' ' TYR . 14.1 m-85 -119.37 116.61 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.4 t -122.27 -165.17 1.24 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.541 1.151 . . . . 0.0 110.455 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 1.5 m -146.06 118.4 8.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 108.348 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.6 OUTLIER -63.06 100.54 0.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 1.072 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -76.27 -159.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 108.349 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 37' ' ' TYR . 6.0 m -141.15 -169.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.651 1.22 . . . . 0.0 109.288 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' TYR . 1.3 mt -57.71 154.64 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.321 1.013 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 36.98 29.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 35' ' ' ILE . 7.4 m-85 -151.68 118.81 5.89 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.479 0.752 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -160.54 -175.39 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.941 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 106.71 63.55 0.6 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.477 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 0.9 OUTLIER 67.89 -66.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.532 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -96.99 -71.77 0.67 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 1.072 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER 156.94 46.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.09 . . . . 0.0 108.313 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -92.04 -19.97 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.8 m -95.2 113.01 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.482 ' CG ' ' CZ ' ' A' ' 37' ' ' TYR . 3.4 mtm-85 -92.03 100.35 13.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -73.43 -31.75 64.01 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.55 1.156 . . . . 0.0 109.389 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -161.08 -161.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 50' ' ' TRP . 17.4 ttp180 -144.57 51.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.623 1.202 . . . . 0.0 110.264 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.613 ' O ' ' CG ' ' A' ' 50' ' ' TRP . 23.7 t-105 -64.24 80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 107.957 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.613 ' CG ' ' O ' ' A' ' 49' ' ' TRP . 2.3 m95 -164.66 -54.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.5 143.57 27.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tt -134.71 -54.83 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m -75.21 137.08 41.01 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.529 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 67.9 t80 -142.5 138.45 16.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.811 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.7 160.66 31.24 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.0 96.88 0.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -177.94 3.82 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.595 1.84 . . . . 0.0 111.038 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -60.92 -17.58 51.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.1 t -41.68 -54.85 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.624 ' CD2' ' CD1' ' A' ' 13' ' ' TYR . 16.7 m-85 -97.52 -56.78 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 60.87 79.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.04 35.03 5.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.624 ' CD1' ' CD2' ' A' ' 10' ' ' TYR . 3.6 t80 -48.06 -23.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.736 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.094 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -129.43 130.44 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 108.322 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -133.69 141.76 47.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.629 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER 32.94 63.39 0.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.406 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.483 ' O ' ' CG1' ' A' ' 34' ' ' VAL . . . -167.87 -79.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.4 -141.79 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' O ' ' OD1' ' A' ' 32' ' ' ASN . 24.1 t -128.36 170.92 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 0.767 . . . . 0.0 109.393 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.9 t -89.45 148.27 23.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.411 1.07 . . . . 0.0 108.28 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 30' ' ' THR . 1.2 mtp -138.63 163.72 31.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.567 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 2.6 t-160 -122.64 136.12 54.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.652 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -87.35 -32.56 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 68.08 -57.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.358 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' ILE . 29.9 t -53.88 -18.48 3.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.117 . . . . 0.0 109.949 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -132.09 15.52 4.67 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 43.65 29.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 109.258 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.516 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 21.5 t -107.15 151.62 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.618 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 84.8 m-85 -110.83 101.28 9.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 21' ' ' MET . 12.9 t -76.98 -166.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 1.094 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -155.59 109.56 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.321 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.465 ' OD1' ' O ' ' A' ' 19' ' ' VAL . 35.8 p30 -83.72 82.31 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 1.399 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -59.76 -157.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 108.331 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 17' ' ' GLY . 0.5 OUTLIER -149.14 -164.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.236 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.423 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -69.05 137.14 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 109.288 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' ' CD1' ' A' ' 37' ' ' TYR . . . 70.03 22.83 77.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 16' ' ' ASN . 37.6 m-85 -166.42 123.27 1.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 37' ' ' TYR . 49.4 m -170.3 -179.13 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 113.36 51.35 0.51 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 10.0 t70 71.03 -60.66 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 0.804 . . . . 0.0 109.228 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 28.1 mtp-105 -86.65 -84.09 0.18 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 1.399 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.2 m 153.95 94.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.368 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.457 ' OE1' ' N ' ' A' ' 44' ' ' THR . 1.4 pm0 -156.93 -39.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 0.0 110.268 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.457 ' N ' ' OE1' ' A' ' 43' ' ' GLN . 2.4 m -78.32 126.16 30.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.36 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.4 102.32 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.12 -167.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 56.54 -96.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.453 ' CG ' ' CG ' ' A' ' 51' ' ' GLU . 18.1 ttp-105 53.52 30.67 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -90.87 16.84 8.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 107.979 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -132.86 12.66 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' CG ' ' CG ' ' A' ' 48' ' ' ARG . 12.2 pt-20 -162.36 153.76 18.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.239 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.44 -52.89 3.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.189 . . . . 0.0 109.214 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.2 m120 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -79.29 129.73 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' HIS . 34.4 t80 -130.29 141.41 41.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.454 ' O ' ' CE2' ' A' ' 3' ' ' TYR . 18.4 Cg_endo -75.02 121.29 6.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -167.4 146.57 10.82 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.449 1.093 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' A' ' 5' ' ' GLY . 1.9 m -157.23 78.76 3.67 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -177.76 3.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.5 p -78.0 0.67 23.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.051 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -52.45 -61.29 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.606 1.191 . . . . 0.0 110.006 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.454 ' CE1' ' CD1' ' A' ' 29' ' ' TYR . 11.9 p90 -116.94 -53.32 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 24.6 t70 49.09 70.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.12 41.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 0.2 OUTLIER -91.03 16.08 10.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 0.807 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -134.91 108.27 7.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.636 1.21 . . . . 0.0 108.251 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.53 159.64 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 74.48 -53.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.234 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' GLY . . . 178.92 -73.46 0.07 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.403 1.064 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' GLY . . . 34.84 -154.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -143.32 165.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.8 t -95.91 137.01 35.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.598 1.186 . . . . 0.0 108.365 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' THR . 10.1 mmm -158.33 127.49 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.682 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 14.0 t-80 -97.46 153.83 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -114.58 167.49 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.5 mm-40 -120.44 -178.51 3.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 3.0 t 87.36 -31.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.67 15.55 1.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.15 29.61 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.637 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.6 OUTLIER -76.1 153.39 36.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.682 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 84.4 m-85 -114.34 150.99 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' MET . 10.1 t -141.16 -174.53 4.04 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 0.8 OUTLIER -157.44 136.51 11.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.19 . . . . 0.0 108.265 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.41 ' CG ' ' CG1' ' A' ' 19' ' ' VAL . 9.0 m-20 -70.01 150.88 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 1.113 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 1.6 t -127.45 -152.7 0.53 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 108.268 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 37' ' ' TYR . 26.0 m -147.94 179.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.9 mt -61.24 124.57 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.369 1.043 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 90.78 14.04 58.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.623 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 67.8 m-85 -164.98 138.4 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.9 m -167.51 173.32 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.951 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.39 -166.1 20.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.95 -17.19 8.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 0.802 . . . . 0.0 109.273 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 13' ' ' TYR . 18.7 mtt85 -144.11 -78.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.239 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 1.113 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER 169.87 66.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.267 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.419 ' C ' ' CD ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -120.89 -33.35 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 m -76.17 110.32 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -76.63 114.4 15.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -31.76 71.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 5.3 mt 41.04 72.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.558 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 1.4 mmt85 161.32 91.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.4 143.2 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.558 ' CD1' ' O ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -107.88 -39.19 5.62 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.554 1.159 . . . . 0.0 107.996 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.64 144.17 29.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -107.37 -54.26 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.62 1.2 . . . . 0.0 110.301 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -76.91 143.52 39.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 22' ' ' HIS . 68.4 t80 -136.66 133.36 18.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.077 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 108.02 2.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -164.09 155.36 26.7 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.2 m 178.03 107.13 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.425 ' O ' ' N ' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -74.98 -175.47 2.38 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.423 1.749 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -52.25 -20.42 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 110.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.5 t -77.19 4.23 10.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.703 ' CE2' ' CB ' ' A' ' 29' ' ' TYR . 31.9 m-85 -143.62 83.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.06 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.09 55.63 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 14' ' ' CYS . . . 98.38 -32.28 7.13 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.648 ' CE1' ' CE2' ' A' ' 10' ' ' TYR . 1.2 t80 67.86 -43.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 0.826 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.506 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 34.1 m -103.6 119.65 39.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -101.52 139.87 36.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER 32.25 58.35 0.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . 169.92 105.99 0.19 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 48.27 -156.07 1.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.433 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 0.3 OUTLIER -131.04 -178.23 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -79.22 161.53 26.31 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.552 1.157 . . . . 0.0 108.327 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.526 ' O ' ' CG2' ' A' ' 30' ' ' THR . 0.2 OUTLIER -154.65 108.51 2.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 28' ' ' SER . 9.0 t-80 -74.51 150.2 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.577 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -113.59 163.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -115.98 -7.94 11.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -60.59 -29.09 68.98 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -159.7 25.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.374 1.046 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.445 ' O ' ' NE2' ' A' ' 22' ' ' HIS . 0.3 OUTLIER 57.26 26.44 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 30.0 t -86.7 163.62 17.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.703 ' CB ' ' CE2' ' A' ' 10' ' ' TYR . 60.7 m-85 -115.03 117.97 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 21' ' ' MET . 14.7 t -101.03 -179.6 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.381 1.05 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -134.5 130.34 36.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 108.34 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.494 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 1.4 p-10 -121.96 97.08 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 1.088 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 64.5 m -84.89 -118.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 108.334 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.13 -169.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.434 ' C ' ' N ' ' A' ' 37' ' ' TYR . 2.1 pt -52.28 140.2 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . 53.21 10.08 1.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.614 1.196 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' N ' ' C ' ' A' ' 35' ' ' ILE . 5.3 m-85 -125.59 119.25 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.982 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 t -167.04 -161.57 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 110.042 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 109.02 169.3 20.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER -37.66 -30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 0.802 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.532 ' CB ' ' O ' ' A' ' 13' ' ' TYR . 33.3 mtm-85 -132.3 -64.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 1.088 ' SG ' ' CB ' ' A' ' 33' ' ' CYS . 1.2 m 173.69 22.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 108.246 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 45' ' ' ARG . 20.9 tt0 -65.87 -30.1 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.361 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 36' ' ' GLY . 5.4 m -66.21 62.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 43' ' ' GLN . 2.2 ttp-105 -72.45 133.86 45.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.238 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' GLY . 13.3 t0 -60.15 -145.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.409 1.068 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.1 39.97 3.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.319 1.012 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.433 ' NE ' ' OE1' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 67.08 53.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.564 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 1.6 t-105 -69.68 -9.78 55.67 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.0 -38.63 36.23 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.592 1.182 . . . . 0.0 108.017 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.433 ' OE1' ' NE ' ' A' ' 48' ' ' ARG . 18.6 mt-10 -95.34 141.11 29.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.274 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.68 -50.84 4.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' OXT' ' CG ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' GLU . 53.8 m-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -114.3 126.87 55.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.951 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 22' ' ' HIS . 47.9 t80 -133.22 140.1 36.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.613 1.196 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 118.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.525 1.802 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.7 150.92 11.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -172.4 100.41 0.36 Allowed Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.0 p -86.18 13.09 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -68.11 -48.34 65.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.889 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -98.34 -58.49 1.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.424 1.078 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 59.25 78.31 0.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.36 40.82 0.42 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 29' ' ' TYR . 2.2 t80 -87.63 20.18 3.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.37 0.688 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' CB ' ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -140.33 134.24 30.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.261 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -142.85 174.13 10.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 42' ' ' CYS . 2.5 m-20 41.42 54.2 3.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.85 77.49 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.925 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' CYS . . . -138.87 132.7 5.85 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -89.75 169.86 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.4 t -80.89 138.46 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.237 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.492 ' O ' ' CG2' ' A' ' 30' ' ' THR . 2.4 mmm -160.96 113.99 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.698 ' CD2' ' CD2' ' A' ' 29' ' ' TYR . 18.8 t-80 -92.35 132.78 36.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.623 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -82.91 154.48 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 1' ' ' ASN . 11.2 mt-10 -121.49 -7.61 9.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 0.0 110.384 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.482 ' O ' ' CD2' ' A' ' 26' ' ' LEU . 33.0 t -68.9 -38.63 79.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.634 1.209 . . . . 0.0 109.925 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -130.31 12.74 5.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.7 27.54 16.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.626 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 7.5 t -95.7 170.35 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.075 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 89.1 m-85 -111.41 142.13 44.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 21' ' ' MET . 10.9 t -140.28 -162.78 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 19' ' ' VAL . 1.3 m -154.47 133.37 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.498 1.124 . . . . 0.0 108.399 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.32 109.5 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 1.313 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 8.8 m -88.98 -153.67 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 37' ' ' TYR . 3.3 m -147.5 -177.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mt -45.86 158.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.39 1.056 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . 37.73 33.42 0.14 Allowed Glycine 0 CA--C 1.528 0.872 0 O-C-N 124.428 1.08 . . . . 0.0 111.052 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' O ' ' O ' ' A' ' 34' ' ' VAL . 15.7 m-85 -161.71 103.42 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.385 0.697 . . . . 0.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 44' ' ' THR . 85.0 p -160.62 168.19 25.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.64 41.06 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' OD2' ' CE2' ' A' ' 13' ' ' TYR . 18.1 t70 60.96 117.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.237 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.9 ttp-105 73.37 1.88 4.12 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 1.313 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.8 m 65.2 87.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 108.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.76 -46.95 2.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 38' ' ' SER . 2.3 m -65.46 98.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.4 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -78.07 126.95 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 36' ' ' GLY . 4.4 t0 40.93 -153.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.409 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 6.7 mp 49.06 72.6 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 49' ' ' TRP . 1.2 mmt-85 169.13 81.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.618 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 59.78 140.25 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.618 ' CD1' ' O ' ' A' ' 49' ' ' TRP . 25.8 m95 -172.56 -97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.18 141.69 50.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.383 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 tt -135.87 134.99 39.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 . . . . . 0 C--N 1.323 -0.557 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -83.16 132.19 35.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.491 ' N ' ' O ' ' A' ' 22' ' ' HIS . 61.6 t80 -131.44 132.93 23.85 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 115.06 4.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.401 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -177.33 156.87 21.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.401 ' SG ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 172.56 108.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 10' ' ' TYR . 18.0 Cg_endo -75.02 175.72 10.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -50.57 -26.38 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.083 . . . . 0.0 109.944 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t -66.48 -26.71 67.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 65.3 m-85 -117.19 47.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -99.21 46.6 0.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.436 ' O ' ' NH1' ' A' ' 41' ' ' ARG . . . 171.9 38.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 40' ' ' ASP . 1.1 t80 -99.03 12.01 37.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.8 122.72 15.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -129.65 173.73 10.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 44.82 65.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.403 1.064 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.19 76.59 0.17 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.27 145.96 17.91 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' CG1' ' ND2' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -96.28 166.01 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -98.85 137.05 37.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.321 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 30' ' ' THR . 2.4 tpt -155.56 131.88 10.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.628 ' CD2' ' O ' ' A' ' 28' ' ' SER . 16.2 t-80 -103.76 136.66 43.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.631 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -91.84 160.76 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -118.61 -9.06 10.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 m -55.67 -30.86 61.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -157.2 24.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.94 25.25 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.628 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 7.4 t -84.32 162.68 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 10' ' ' TYR . 83.1 m-85 -112.24 139.12 48.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' MET . 10.0 t -129.11 -172.48 2.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 1.2 m -161.16 134.33 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 108.348 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -96.8 96.22 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 1.127 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 2.5 t -60.3 -121.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 108.339 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.558 ' CG1' ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -147.35 -155.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.558 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 67.4 mt -49.01 148.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 35' ' ' ILE . . . 32.38 39.11 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.08 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ILE . 11.0 m-85 -157.82 125.58 5.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.536 0.786 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' THR . 4.8 m -169.63 -160.44 0.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.6 -165.06 12.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 30.6 m-20 -63.04 -13.49 36.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 12' ' ' GLY . 56.8 mtp85 -142.06 -87.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 1.127 ' SG ' ' CB ' ' A' ' 33' ' ' CYS . 39.9 t 176.88 33.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 0.0 108.258 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -106.0 2.05 27.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 38' ' ' SER . 7.8 m -112.76 127.06 56.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.604 1.19 . . . . 0.0 110.372 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -87.41 105.31 17.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -71.64 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.27 -162.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.4 ttm105 -179.8 59.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -55.98 -39.59 72.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 107.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.94 109.91 14.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -137.74 9.99 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.496 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -129.27 168.91 15.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.373 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.665 ' OXT' ' CG ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' ILE . 12.9 m120 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -120.34 122.27 40.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 22' ' ' HIS . 45.7 t80 -129.04 137.82 31.84 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.569 1.168 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 107.1 2.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -167.21 154.22 24.36 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.41 1.069 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -178.44 100.82 0.21 Allowed Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -176.33 2.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -87.3 14.29 8.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 109.939 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 m -74.99 -41.84 58.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -84.38 -67.82 0.77 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.7 75.6 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.97 37.43 0.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE2' ' O ' ' A' ' 29' ' ' TYR . 2.6 t80 -103.15 -6.26 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -132.02 111.09 11.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 1.054 . . . . 0.0 108.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -124.56 173.53 8.42 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.448 ' ND2' ' CD2' ' A' ' 37' ' ' TYR . 72.8 m-20 52.74 67.59 0.96 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 49.42 32.58 15.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 32' ' ' ASN . . . -84.69 160.33 35.62 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 20' ' ' CYS . 45.2 t -114.38 170.77 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.65 0.853 . . . . 0.0 109.202 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' N ' ' CG1' ' A' ' 19' ' ' VAL . 0.5 OUTLIER -112.65 138.67 49.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 30' ' ' THR . 3.4 mmt -154.01 156.97 38.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.517 ' CD2' ' CG ' ' A' ' 29' ' ' TYR . 3.5 t-160 -111.01 157.75 19.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.699 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -110.17 -19.06 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 23' ' ' ILE . 5.5 tt0 52.78 170.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 77.18 -25.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.094 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.413 ' C ' ' N ' ' A' ' 28' ' ' SER . 2.3 mt -143.2 15.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 49.05 22.3 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.515 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -81.2 115.75 20.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.976 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CG ' ' CD2' ' A' ' 22' ' ' HIS . 64.6 m-85 -98.29 127.52 44.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.496 ' OG1' ' N ' ' A' ' 31' ' ' CYS . 5.3 t -105.21 -170.68 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.54 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.496 ' N ' ' OG1' ' A' ' 30' ' ' THR . 1.0 OUTLIER -160.78 131.25 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.639 1.212 . . . . 0.0 108.308 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.504 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 29.6 t-20 -78.88 156.87 28.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 1.285 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER -119.94 -150.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 108.311 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.547 ' O ' ' O ' ' A' ' 37' ' ' TYR . 1.2 p -157.72 -162.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.363 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.618 ' CG2' ' CE3' ' A' ' 49' ' ' TRP . 28.2 mt -72.82 128.7 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.644 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 89.94 7.76 67.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.391 1.057 . . . . 0.0 111.04 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 36' ' ' GLY . 45.0 m-85 -164.65 142.04 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 t -162.12 164.25 28.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.47 -179.13 17.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.1 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' OD2' ' OH ' ' A' ' 13' ' ' TYR . 25.4 t70 -71.11 -13.66 62.04 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -138.25 14.58 2.81 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 1.285 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 11.8 t 48.07 73.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.409 ' CD ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -125.49 -32.99 2.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -69.58 105.15 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.538 ' CG ' ' CE2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -74.56 129.11 37.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.233 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.545 ' O ' ' CD2' ' A' ' 47' ' ' LEU . 1.8 t70 -66.13 -144.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.545 ' CD2' ' O ' ' A' ' 46' ' ' ASP . 21.6 mt -150.56 -44.72 0.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.388 1.055 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -172.05 68.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.623 ' O ' ' CE3' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -77.61 -9.1 58.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 107.98 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.42 ' CE2' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -89.91 10.07 25.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 107.992 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -132.48 -50.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.85 147.04 50.43 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.411 1.07 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -111.67 120.28 41.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.527 ' O ' ' N ' ' A' ' 22' ' ' HIS . 64.3 t80 -120.93 140.72 31.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 109.08 2.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.18 157.86 19.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.4 p 168.72 119.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 -175.88 2.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.528 1.804 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.0 t -86.34 13.6 7.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.908 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -71.81 -36.18 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.091 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.792 ' CG ' ' CD2' ' A' ' 13' ' ' TYR . 65.6 m-85 -99.14 -8.93 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 62.59 55.78 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 88.44 -31.92 4.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.792 ' CD2' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 58.76 13.44 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.593 0.819 . . . . 0.0 111.082 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.403 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -136.61 120.5 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -119.53 176.45 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.171 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 42' ' ' CYS . 68.9 m-80 65.32 -59.92 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.555 1.16 . . . . 0.0 109.389 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 166.39 76.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.43 156.24 23.95 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.487 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 2.1 t -91.45 158.81 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.586 0.815 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.58 141.79 28.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.32 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 tpt -156.07 128.46 7.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.681 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 9.3 t-160 -94.6 148.8 21.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.528 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -111.93 166.13 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 25' ' ' SER . 24.6 mt-10 -117.14 -178.25 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 110.219 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.8 t 88.44 -29.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.929 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.79 18.07 0.69 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.161 . . . . 0.0 109.387 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 48.86 38.32 11.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.2 t -84.03 154.94 22.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.681 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 72.8 m-85 -114.94 144.07 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 31' ' ' CYS . 8.1 t -136.18 -176.48 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 1.403 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -155.72 123.58 5.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 108.386 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 19' ' ' VAL . 14.6 p-10 -77.9 109.11 11.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.212 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.4 m -78.41 -145.37 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.533 1.145 . . . . 0.0 108.237 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.533 ' CG2' ' N ' ' A' ' 35' ' ' ILE . 1.8 m -144.65 -178.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.717 ' CG2' ' CE2' ' A' ' 50' ' ' TRP . 1.7 mm -69.65 102.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 116.82 8.38 12.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.399 1.062 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.577 ' CD1' ' C ' ' A' ' 36' ' ' GLY . 31.2 m-85 -148.92 130.41 14.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 0.725 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.518 ' OG ' ' CD2' ' A' ' 47' ' ' LEU . 7.4 p -161.56 164.26 29.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 135.98 48.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' GLY . 4.9 p-10 37.96 38.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 0.734 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.472 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 10.1 ttp180 177.08 -27.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.64 1.212 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' SG ' ' C ' ' A' ' 41' ' ' ARG . 1.6 m 81.76 79.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.465 ' OE1' ' NE ' ' A' ' 41' ' ' ARG . 4.9 mt-30 -134.49 -37.7 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 m -79.39 118.15 21.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -97.21 67.63 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.346 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.688 ' O ' ' C ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -130.38 -68.51 0.69 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.688 ' C ' ' O ' ' A' ' 46' ' ' ASP . 4.1 mm? -10.85 116.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.466 ' NE ' ' OE1' ' A' ' 51' ' ' GLU . 23.9 ttp180 -160.57 62.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.164 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -74.61 -2.56 26.56 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.569 1.168 . . . . 0.0 107.946 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.717 ' CE2' ' CG2' ' A' ' 35' ' ' ILE . 8.1 p90 -94.89 94.18 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' OE1' ' NE ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -167.87 -50.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.427 1.079 . . . . 0.0 110.326 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.02 -55.25 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.6 mtm-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.283 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.453 ' ND2' ' OE1' ' A' ' 24' ' ' GLU . 5.2 p-10 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -71.66 122.52 20.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.0 t80 -125.71 135.16 26.62 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.368 1.043 . . . . 0.0 110.978 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.97 4.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -170.04 152.57 19.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -174.8 94.74 0.29 Allowed Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 10' ' ' TYR . 18.0 Cg_endo -74.96 -178.29 4.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -53.78 -24.41 15.19 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.26 4.18 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.405 1.065 . . . . 0.0 110.022 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.709 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 60.8 m-85 -143.33 77.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.5 1.125 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.29 56.17 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.382 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . 99.84 -31.76 8.03 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.528 1.143 . . . . 0.0 111.083 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' CD2' ' A' ' 10' ' ' TYR . 5.4 t80 47.15 20.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.494 0.761 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 1.394 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 36.0 m -132.01 145.9 51.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -145.55 162.95 36.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.58 1.175 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 15' ' ' LEU . 2.9 m120 76.78 -53.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.37 80.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.78 149.53 21.16 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 32' ' ' ASN . 13.7 t -90.94 151.66 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 1.8 t -80.18 135.86 36.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 108.412 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 tpt -155.42 123.45 5.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 28' ' ' SER . 11.2 t-80 -89.66 154.08 20.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.2 OUTLIER -116.85 168.87 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 25' ' ' SER . 8.5 mt-10 -122.08 -178.32 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.9 t 88.7 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.46 17.48 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.201 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.84 38.25 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.621 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.6 t -85.43 156.45 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.936 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.709 ' CD1' ' CZ ' ' A' ' 10' ' ' TYR . 63.5 m-85 -117.09 146.84 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.9 t -139.65 -168.95 2.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 1.394 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.2 m -154.53 134.13 12.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 108.228 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' VAL . 5.0 m-20 -70.08 105.69 2.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.138 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 3.4 m -90.98 -162.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 108.235 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 m -147.77 -175.04 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -42.81 132.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.55 -35.12 0.17 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.609 1.193 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.618 ' CD2' ' OD1' ' A' ' 46' ' ' ASP . 38.8 m-85 -77.89 117.74 19.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 60.4 p -152.61 -160.13 1.1 Allowed 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 42' ' ' CYS . . . 74.5 132.99 0.27 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 7.7 p-10 -33.56 117.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.618 0.834 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.517 ' CB ' ' O ' ' A' ' 40' ' ' ASP . 9.7 mtp85 85.85 16.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.578 ' N ' ' O ' ' A' ' 39' ' ' GLY . 3.6 m 41.18 60.08 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 108.367 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.01 -33.11 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.1 m -69.49 89.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.583 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 5.5 ttm105 -64.23 146.6 54.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.618 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -36.13 -62.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.623 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER 76.23 25.61 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.623 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 47.9 ttt180 94.04 50.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.734 ' CD2' ' O ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -81.43 1.79 31.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 108.027 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.611 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -110.41 87.15 2.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.54 1.15 . . . . 0.0 108.047 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.11 -55.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -114.32 -56.02 2.43 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.0 ttp85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.251 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.466 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 18.3 m -155.03 158.18 38.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 22' ' ' HIS . 30.5 m-85 -143.33 140.47 17.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 83.68 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.407 1.741 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' SG ' ' A' ' 20' ' ' CYS . . . -142.43 163.17 27.21 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.05 111.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.606 ' O ' ' CB ' ' A' ' 8' ' ' SER . 18.5 Cg_endo -75.04 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.453 1.765 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.606 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 3.6 p 95.05 -6.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.964 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -76.65 -0.73 24.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.586 ' OH ' ' CD1' ' A' ' 29' ' ' TYR . 47.3 m-85 -85.38 -89.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER 157.33 89.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 14' ' ' CYS . . . 39.42 52.51 2.91 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.423 1.077 . . . . 0.0 111.039 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -43.87 -21.93 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 0.715 . . . . 0.0 111.012 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -130.02 109.83 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.579 1.175 . . . . 0.0 108.312 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -125.44 165.33 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.235 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER 82.11 -54.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.52 78.56 0.03 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -151.25 149.24 20.99 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.59 168.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.564 0.803 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 10.6 t -100.4 127.2 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 108.288 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.526 ' O ' ' CG2' ' A' ' 30' ' ' THR . 4.0 mmt -138.28 117.19 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.838 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 10.1 t-160 -85.79 137.6 32.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -97.11 157.38 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.366 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.601 ' OE2' ' CZ ' ' A' ' 3' ' ' TYR . 2.0 mt-10 -119.01 -5.67 10.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.387 1.054 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 t -57.58 -27.19 62.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -161.86 26.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.69 25.28 14.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.572 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.5 t -87.06 165.73 15.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.023 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.838 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 5.9 m-85 -118.32 147.95 42.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 21' ' ' MET . 15.3 t -138.22 -175.0 3.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -153.95 127.85 8.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 108.266 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 32' ' ' ASN . 0.9 OUTLIER -77.17 94.45 4.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.383 1.052 . . . . 0.0 109.332 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 1.154 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 2.3 t -61.13 -147.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -151.0 -162.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.213 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.443 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 1.1 mm -77.09 128.2 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.461 1.1 . . . . 0.0 109.222 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.616 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 90.68 3.7 70.9 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.562 1.164 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 36' ' ' GLY . 64.5 m-85 -157.29 143.89 18.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.033 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 m -160.19 -178.05 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.951 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 41' ' ' ARG . . . 108.48 177.31 21.89 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.611 ' OD2' ' CE1' ' A' ' 13' ' ' TYR . 27.2 t70 -45.16 -25.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.542 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 4.0 mtt180 -128.4 -82.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 1.154 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER 172.15 26.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 108.304 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.03 -27.54 57.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 m -75.18 91.78 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 0.0 110.427 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.614 ' CG ' ' CE2' ' A' ' 37' ' ' TYR . 2.2 mtm-85 -77.86 121.89 24.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.19 -145.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.82 -51.06 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 174.16 74.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.408 1.067 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.483 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 44.2 t-105 -88.44 47.22 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 108.057 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.452 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -126.14 20.13 7.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 107.956 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.27 145.29 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.221 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.62 153.4 48.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 110.32 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -74.69 130.58 39.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.439 1.087 . . . . 0.0 109.897 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.513 ' O ' ' N ' ' A' ' 22' ' ' HIS . 63.4 t80 -125.38 132.52 24.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 108.42 2.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.574 1.828 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.24 150.64 22.71 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 10' ' ' TYR . 1.7 t -177.07 82.99 0.25 Allowed Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 176.51 9.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.401 1.737 . . . . 0.0 111.058 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.0 t -56.14 -21.32 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.2 t -81.87 6.57 15.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.97 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.727 ' CZ ' ' CG ' ' A' ' 29' ' ' TYR . 24.1 m-85 -138.57 68.53 1.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -113.77 55.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.376 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.51 42.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.479 ' C ' ' CG ' ' A' ' 41' ' ' ARG . 7.3 t80 -102.66 12.1 36.8 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.517 0.775 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 1.6 m -133.25 121.69 22.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 108.305 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 13.5 mt -111.76 -175.94 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 42' ' ' CYS . 79.2 m-20 48.16 23.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 15' ' ' LEU . . . 68.21 70.22 1.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.4 163.73 14.77 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 4.1 t -88.23 168.35 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.397 0.704 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.0 t -96.4 136.49 36.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -154.08 135.9 14.51 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.538 1.148 . . . . 0.0 111.008 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.688 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 8.7 t-160 -102.74 148.44 25.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.621 1.201 . . . . 0.0 109.547 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.3 OUTLIER -109.37 155.47 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -116.01 -18.39 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.5 t -54.59 -20.26 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.178 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 1.3 mt -164.04 31.98 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 3.1 p-10 46.1 28.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.607 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.6 t -89.21 169.02 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.727 ' CG ' ' CZ ' ' A' ' 10' ' ' TYR . 11.8 m-85 -116.31 144.06 44.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.472 ' N ' ' O ' ' A' ' 21' ' ' MET . 13.7 t -133.73 -170.15 2.44 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.461 1.1 . . . . 0.0 110.466 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -157.77 132.96 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -72.01 90.7 1.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 1.212 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 4.7 m -75.12 -135.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 108.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.1 -176.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -54.14 151.8 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.288 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . 47.87 22.51 2.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.624 1.203 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.436 ' OH ' ' CD ' ' A' ' 45' ' ' ARG . 10.3 m-85 -147.36 114.05 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 0.717 . . . . 0.0 110.987 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 p -164.78 -154.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.581 1.176 . . . . 0.0 109.958 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.52 -73.62 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 22.0 t70 -177.74 108.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.479 ' CG ' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER 78.43 13.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.174 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 1.212 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 3.5 m 68.32 69.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 108.305 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.525 ' CA ' ' NE2' ' A' ' 43' ' ' GLN . 1.2 tp60 -119.58 -44.56 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 110.326 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.3 m -65.72 72.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' GLN . 41.9 ttp-105 -74.32 99.45 3.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' GLY . 1.9 m-20 -71.2 -143.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.61 -29.23 16.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.612 ' CG ' ' CZ2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 75.78 68.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.493 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 1.3 p90 -41.53 137.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.176 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.612 ' CZ2' ' CG ' ' A' ' 48' ' ' ARG . 10.6 m0 -148.92 -173.89 4.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.61 149.39 47.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.417 ' CD2' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -142.53 158.18 43.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.411 ' OXT' ' CG ' ' A' ' 53' ' ' ARG . 3.2 tmm_? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.402 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -86.46 121.49 29.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' HIS . 61.8 t80 -126.3 135.49 27.25 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 122.18 7.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.532 ' O ' ' CB ' ' A' ' 6' ' ' CYS . . . 165.57 157.84 10.23 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.497 1.123 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.532 ' CB ' ' O ' ' A' ' 5' ' ' GLY . 1.8 p 157.43 89.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.504 ' C ' ' N ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.94 172.58 16.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.066 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 10' ' ' TYR . 8.5 t 47.39 15.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.123 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.504 ' N ' ' C ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 46.86 22.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.949 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 29' ' ' TYR . 1.7 m-85 31.39 38.36 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.554 1.159 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' SER . 22.4 t70 61.98 74.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.18 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.44 40.03 1.86 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -44.36 -24.54 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.496 0.762 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.49 143.18 50.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 108.297 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.33 173.25 14.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.531 ' ND2' ' CE1' ' A' ' 37' ' ' TYR . 80.2 m-20 52.53 66.4 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.24 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.45 34.36 59.7 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.22 122.83 7.67 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 t -82.81 161.15 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.6 0.824 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.7 t -98.65 133.99 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 108.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 73.3 mmm -154.26 117.78 4.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.622 ' CD2' ' O ' ' A' ' 28' ' ' SER . 16.3 t-80 -88.66 131.4 35.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.626 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -80.55 159.2 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 1' ' ' ASN . 39.7 mt-10 -119.26 -35.95 3.48 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.575 1.172 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 70.1 m -55.94 -36.92 68.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.557 1.161 . . . . 0.0 109.871 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' C ' ' N ' ' A' ' 28' ' ' SER . 0.2 OUTLIER -120.73 15.45 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 44.18 24.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.622 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -97.45 174.04 6.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.019 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 10' ' ' TYR . 41.5 m-85 -111.67 142.14 44.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -131.3 -171.65 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.441 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.45 ' N ' ' CG2' ' A' ' 30' ' ' THR . 1.5 m -162.56 118.89 1.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 108.245 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -74.51 93.46 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.61 1.194 . . . . 0.0 109.351 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 42' ' ' CYS . 7.7 m -67.01 -147.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.288 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.57 ' CG1' ' N ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -151.28 -162.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.581 ' CG2' ' CB ' ' A' ' 49' ' ' TRP . 1.3 mm -57.76 154.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.66 29.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.531 ' CE1' ' ND2' ' A' ' 16' ' ' ASN . 6.4 m-85 -151.47 116.56 5.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 0.76 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.1 p -161.27 -168.79 2.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 103.84 44.75 1.6 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.385 1.053 . . . . 0.0 110.905 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 39' ' ' GLY . 22.7 m-20 38.09 48.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 16.6 ttm105 174.6 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 1.8 m 83.7 20.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.438 ' NE2' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -83.88 -22.14 31.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.596 1.185 . . . . 0.0 110.239 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.438 ' N ' ' NE2' ' A' ' 43' ' ' GLN . 2.9 m -92.82 126.34 37.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.9 mtm180 -95.21 101.7 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -64.26 -38.24 90.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER 38.28 81.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -164.49 31.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.581 ' CB ' ' CG2' ' A' ' 35' ' ' ILE . 9.0 t90 -129.76 8.89 5.36 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.482 1.114 . . . . 0.0 108.105 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.575 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -139.76 -50.31 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.126 . . . . 0.0 108.075 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.87 142.11 28.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.32 64.68 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.207 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.394 1.059 . . . . 0.0 110.383 179.898 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.491 ' OD1' ' CB ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -75.19 128.96 36.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.5 t80 -126.55 139.3 34.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.044 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 113.96 3.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.428 1.751 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -170.63 151.93 17.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -174.78 95.94 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.82 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -86.62 11.15 13.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.403 1.065 . . . . 0.0 110.082 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 t -67.84 -50.3 57.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.949 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.614 ' OH ' ' CD2' ' A' ' 29' ' ' TYR . 8.6 m-85 -88.59 -62.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 t70 53.67 72.66 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.33 40.37 0.15 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.61 ' CE2' ' OD2' ' A' ' 40' ' ' ASP . 2.0 t80 -100.46 2.26 41.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -138.66 114.0 9.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 108.322 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD1' ' CB ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -110.68 -179.17 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.552 ' CG ' ' CD2' ' A' ' 37' ' ' TYR . 76.8 m-20 43.96 61.74 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.34 41.53 12.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.8 142.2 17.6 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.2 170.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.41 0.712 . . . . 0.0 109.208 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -113.67 138.51 50.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 108.319 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.87 132.29 11.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.571 1.17 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 28' ' ' SER . 10.8 t-160 -95.52 152.1 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.659 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -114.94 169.03 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.403 1.065 . . . . 0.0 109.352 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.4 mm-40 -122.55 -177.46 3.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.7 t 88.28 -29.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.1 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.3 17.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 50.86 38.4 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.066 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.605 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t -85.51 154.99 21.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.19 . . . . 0.0 109.959 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.614 ' CD2' ' OH ' ' A' ' 10' ' ' TYR . 19.4 m-85 -116.9 149.88 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 31' ' ' CYS . 9.3 t -139.6 -173.03 3.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' N ' ' OG1' ' A' ' 30' ' ' THR . 1.7 m -158.54 143.83 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.198 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -94.57 148.96 21.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.373 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.428 ' SG ' ' CB ' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -119.38 -159.43 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 108.315 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' A' ' 37' ' ' TYR . 1.2 m -149.42 159.87 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -34.47 138.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . 86.45 -33.77 3.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.618 1.199 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.552 ' CD2' ' CG ' ' A' ' 16' ' ' ASN . 57.5 m-85 -122.95 142.06 51.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 0.771 . . . . 0.0 111.049 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 43' ' ' GLN . 59.8 p -158.96 -178.54 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.933 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 114.38 159.11 12.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.61 ' OD2' ' CE2' ' A' ' 13' ' ' TYR . 35.2 t70 -36.35 -32.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.577 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 25.7 mtm-85 -122.67 -48.74 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.2 m 153.43 38.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 108.333 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.53 ' CG ' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -53.2 -55.32 25.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.53 ' N ' ' CG ' ' A' ' 43' ' ' GLN . 1.2 m -56.63 139.3 50.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 36' ' ' GLY . 39.2 mtt180 -120.56 147.38 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.556 ' O ' ' N ' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -32.99 -34.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.202 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 45' ' ' ARG . 4.4 mm? -65.96 60.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.556 ' N ' ' O ' ' A' ' 46' ' ' ASP . 10.8 mtt-85 164.75 82.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.167 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.577 ' C ' ' CD1' ' A' ' 50' ' ' TRP . 2.5 t90 -55.21 -168.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.704 ' CD1' ' N ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -158.49 -67.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -155.06 -97.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -154.75 167.56 29.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.539 ' N ' ' CD2' ' A' ' 52' ' ' LEU . 3.2 tpt85 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 4.4 m120 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -114.47 138.72 50.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' HIS . 4.1 t80 -146.43 132.46 9.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.58 3.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.83 151.61 19.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.9 t -178.07 89.11 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.596 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.0 Cg_endo -75.04 179.04 6.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 m -92.0 17.72 8.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.428 1.08 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.5 m -78.1 -19.05 54.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.525 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 46.3 m-85 -92.26 -98.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER 153.89 88.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.376 1.048 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' CYS . . . 42.93 46.9 6.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.375 1.047 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.9 t80 -34.48 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 111.022 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m -103.89 122.37 45.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 108.257 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -127.21 166.5 17.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.395 1.06 . . . . 0.0 109.352 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.467 ' OD1' ' CB ' ' A' ' 42' ' ' CYS . 5.0 m120 80.33 -50.93 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.6 80.13 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.409 1.068 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.448 ' CA ' ' O ' ' A' ' 32' ' ' ASN . . . -151.94 156.74 26.86 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.06 165.02 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.474 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 2.0 t -113.39 136.42 52.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 108.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.694 ' HG3' HG23 ' A' ' 30' ' ' THR . 2.1 ppp? -145.54 138.54 26.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.774 ' CE1' ' CE1' ' A' ' 29' ' ' TYR . 10.2 t60 -90.03 146.84 24.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.122 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.058 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -110.22 155.1 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' CB ' ' HB2' ' A' ' 1' ' ' ASN . 11.9 mt-10 -112.05 -6.16 14.21 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.8 t -58.68 -29.04 66.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 110.049 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -158.08 24.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.586 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 0.3 OUTLIER 58.02 29.81 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' HG13 ' A' ' 23' ' ' ILE . 23.3 t -99.03 159.54 14.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.602 1.189 . . . . 0.0 109.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.774 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 51.1 m-85 -110.33 134.58 52.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.598 1.186 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 1.058 ' HB ' HD11 ' A' ' 23' ' ' ILE . 5.1 t -122.94 -174.03 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.618 ' CB ' ' HA ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -150.29 156.1 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 108.326 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.448 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 35.7 p-10 -126.43 134.33 51.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.619 1.199 . . . . 0.0 109.267 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -111.32 -144.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 108.265 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 37' ' ' TYR . 14.4 m -143.5 178.58 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' VAL . 3.9 mt -37.98 132.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.671 ' O ' ' HA ' ' A' ' 45' ' ' ARG . . . 80.76 8.3 87.64 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 91.3 m-85 -166.1 134.75 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 111.006 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER 179.88 -164.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.522 ' N ' ' OG ' ' A' ' 38' ' ' SER . . . 104.14 -132.97 11.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.413 1.071 . . . . 0.0 111.046 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' OD1' ' CE2' ' A' ' 13' ' ' TYR . 10.4 t70 -73.15 -14.62 61.4 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 0.735 . . . . 0.0 109.225 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.618 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -166.43 -87.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.467 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 89.8 m -148.89 18.21 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.573 1.171 . . . . 0.0 108.257 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' ARG . 27.2 tt0 -66.55 -48.7 68.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.39 1.056 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 30.1 m -66.21 69.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.484 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.671 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 16.0 ptm180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.386 1.054 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.7 m120 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.594 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 67.5 m -162.96 144.29 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.891 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.598 ' CE1' ' HB2' ' A' ' 24' ' ' GLU . 3.2 m-85 -143.36 133.91 12.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.81 0.96 Allowed 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 20' ' ' CYS . . . -150.12 144.26 11.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.6 94.94 0.57 Allowed Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.18 3.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.563 1.822 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.4 p -53.99 -20.35 6.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.955 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -46.89 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' CD1' ' HE1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -104.27 -58.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.076 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 t70 58.1 80.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' CYS . . . 107.32 40.27 1.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.408 1.068 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -41.33 -26.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.065 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.156 ' SG ' ' CB ' ' A' ' 31' ' ' CYS . 48.4 m -110.22 156.8 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.32 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.607 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -144.95 138.37 26.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.607 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER 21.81 56.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 42' ' ' CYS . . . -158.97 -89.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . -114.71 -157.41 11.73 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.503 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 15.0 t -116.37 154.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.406 0.709 . . . . 0.0 109.285 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 8.9 t -71.24 137.68 48.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.59 1.181 . . . . 0.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.779 ' O ' HG22 ' A' ' 30' ' ' THR . 1.2 mtp -146.66 114.98 6.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.575 ' HE1' ' O ' ' A' ' 27' ' ' ASP . 65.3 t60 -92.03 134.15 35.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.601 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.766 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -89.07 162.95 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.598 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 5.1 mm-40 -124.0 -3.53 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.0 p -63.52 -27.92 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.083 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.49 22.74 0.47 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.552 1.158 . . . . 0.0 109.392 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.575 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER 60.63 29.06 18.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 23' ' ' ILE . 29.4 t -92.73 160.93 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.019 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.518 ' HA ' ' HA ' ' A' ' 22' ' ' HIS . 31.8 m-85 -110.69 138.45 47.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 111.055 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 21' ' ' MET . 15.1 t -129.84 -166.52 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 1.156 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -160.58 123.76 3.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 108.285 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 19' ' ' VAL . 12.4 p30 -85.97 86.05 7.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.414 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.95 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.4 OUTLIER -64.45 -160.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.326 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -141.07 -170.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.36 150.48 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 45' ' ' ARG . . . 45.45 24.42 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.608 ' CE1' ' HG3' ' A' ' 45' ' ' ARG . 12.0 m-85 -149.92 118.7 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -163.99 -177.15 4.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 109.69 57.33 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.426 1.078 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 7.4 t70 70.31 -59.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.339 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.529 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 7.3 mtm180 -100.2 -71.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.95 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 1.1 m 157.36 42.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 108.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.521 ' CG ' HH11 ' A' ' 41' ' ' ARG . 2.1 mt-30 -89.6 -31.6 17.5 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -81.58 97.39 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.608 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 2.1 ttp85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.353 1.033 . . . . 0.0 110.306 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -104.39 133.61 49.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' HIS . 51.2 t80 -130.06 136.06 28.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.377 1.048 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.1 Cg_endo -75.12 113.37 3.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.85 155.97 23.97 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.402 1.064 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 3.1 t -179.7 101.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.1 Cg_endo -75.02 -176.17 2.74 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.3 p -88.9 17.01 6.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.4 t -80.66 -42.8 21.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.075 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.786 ' CG ' ' CD2' ' A' ' 13' ' ' TYR . 2.4 m-85 -100.67 13.96 33.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 43.98 52.84 6.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 88.63 -27.59 7.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.148 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.786 ' CD2' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 60.38 11.16 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 110.961 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 2.6 m -133.06 124.39 27.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.365 1.041 . . . . 0.0 108.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -122.15 176.65 5.72 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.524 1.14 . . . . 0.0 109.393 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 3.3 m-20 70.02 -55.83 0.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.398 1.061 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 156.32 81.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.391 1.057 . . . . 0.0 111.027 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.09 29.49 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 t -93.05 164.92 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.444 0.732 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 t -107.69 144.9 34.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.571 ' O ' HG22 ' A' ' 30' ' ' THR . 9.6 mtp -151.01 133.91 15.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.83 ' CE1' ' CE1' ' A' ' 29' ' ' TYR . 1.8 t60 -84.43 153.95 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.564 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.886 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -109.58 -19.47 6.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 23' ' ' ILE . 8.1 pt-20 46.75 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER 83.6 -33.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.75 12.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.86 37.52 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.43 ' O ' HG13 ' A' ' 23' ' ' ILE . 3.0 t -94.89 143.32 26.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 110.04 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.83 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 26.0 m-85 -121.41 142.41 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.886 ' HB ' HD11 ' A' ' 23' ' ' ILE . 5.5 t -130.63 -177.27 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -156.01 147.1 22.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 108.243 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 19' ' ' VAL . 11.2 p-10 -119.01 118.53 31.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 1.051 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 6.8 t -84.03 -106.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 108.339 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.406 ' H ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -151.6 -169.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 mt -51.17 137.92 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 37' ' ' TYR . . . 47.89 32.9 9.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.591 1.182 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.641 ' CZ ' ' HB3' ' A' ' 45' ' ' ARG . 5.4 m-85 -149.19 121.45 8.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 0.759 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 t -177.65 -140.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 99.64 41.86 2.83 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 9.3 t70 87.92 -35.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 0.793 . . . . 0.0 109.342 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 42' ' ' CYS . 55.1 mtt85 -128.26 -85.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 1.051 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 45.0 t 176.86 35.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -97.74 -22.55 16.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 m -96.28 102.85 14.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.354 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.641 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 24' ' ' GLU . 13.4 m120 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -113.85 136.82 52.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' HIS . 71.7 t80 -143.72 126.37 8.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 102.18 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.595 1.84 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.2 157.03 26.99 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.418 1.074 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 177.9 97.61 0.14 Allowed Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.447 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -75.04 173.46 14.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.597 1.841 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -51.91 -27.24 12.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t -66.8 -18.06 65.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.057 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 29' ' ' TYR . 74.5 m-85 -123.08 51.74 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.04 47.56 0.87 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.94 37.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CZ ' ' O ' ' A' ' 29' ' ' TYR . 6.6 t80 -99.48 -14.07 19.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -106.92 160.4 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.599 HD23 ' CB ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -99.92 -161.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.381 1.051 . . . . 0.0 109.367 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -60.07 -13.75 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.225 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -144.63 74.41 0.31 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . -164.95 133.03 2.84 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.2 t -98.65 131.99 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 0.813 . . . . 0.0 109.234 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -69.43 127.75 34.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 108.328 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.479 ' CG ' HG22 ' A' ' 30' ' ' THR . 13.1 ptm -143.32 168.04 20.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.482 ' O ' ' O ' ' A' ' 3' ' ' TYR . 26.7 t60 -126.81 136.31 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.543 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.804 ' N ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -103.87 119.46 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 1' ' ' ASN . 1.2 mm-40 -79.79 -17.25 53.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.7 p -57.8 -24.44 57.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mt -155.03 21.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 46.62 39.97 7.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.578 ' O ' HG12 ' A' ' 23' ' ' ILE . 32.9 t -99.24 164.35 12.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 10' ' ' TYR . 14.1 m-85 -119.37 116.61 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.598 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.4 t -122.27 -165.17 1.24 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.541 1.151 . . . . 0.0 110.455 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.5 m -146.06 118.4 8.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 108.348 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.6 OUTLIER -63.06 100.54 0.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 1.072 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -76.27 -159.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 108.349 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.459 HG23 ' HB2' ' A' ' 37' ' ' TYR . 6.0 m -141.15 -169.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.651 1.22 . . . . 0.0 109.288 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' TYR . 1.3 mt -57.71 154.64 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.321 1.013 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 36.98 29.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 7.4 m-85 -151.68 118.81 5.89 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.479 0.752 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -160.54 -175.39 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.941 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 106.71 63.55 0.6 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 0.9 OUTLIER 67.89 -66.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.599 ' CB ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -96.99 -71.77 0.67 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 1.072 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER 156.94 46.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.09 . . . . 0.0 108.313 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.4 pt20 -92.04 -19.97 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.8 m -95.2 113.01 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.573 ' HG2' ' CE1' ' A' ' 37' ' ' TYR . 3.4 mtm-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 22' ' ' HIS . 33.5 m -75.21 137.08 41.01 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.529 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 67.9 t80 -142.5 138.45 16.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.811 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.7 160.66 31.24 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.0 96.88 0.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.586 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.02 -177.94 3.82 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.595 1.84 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -60.92 -17.58 51.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.1 t -41.68 -54.85 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.624 ' CD2' ' CD1' ' A' ' 13' ' ' TYR . 16.7 m-85 -97.52 -56.78 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 60.87 79.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.04 35.03 5.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.624 ' CD1' ' CD2' ' A' ' 10' ' ' TYR . 3.6 t80 -48.06 -23.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.736 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -129.43 130.44 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 108.322 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -133.69 141.76 47.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.629 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER 32.94 63.39 0.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.406 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.498 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -167.87 -79.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . -140.4 -141.79 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 20' ' ' CYS . 24.1 t -128.36 170.92 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 0.767 . . . . 0.0 109.393 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.537 ' N ' HG12 ' A' ' 19' ' ' VAL . 35.9 t -89.45 148.27 23.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.411 1.07 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.607 ' HB2' HG23 ' A' ' 30' ' ' THR . 1.2 mtp -138.63 163.72 31.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.567 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 2.6 t-160 -122.64 136.12 54.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.652 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -87.35 -32.56 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 3' ' ' TYR . 0.3 OUTLIER 68.08 -57.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.358 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 29.9 t -53.88 -18.48 3.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.117 . . . . 0.0 109.949 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -132.09 15.52 4.67 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 43.65 29.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 109.258 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.523 ' O ' HG13 ' A' ' 23' ' ' ILE . 21.5 t -107.15 151.62 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.618 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 84.8 m-85 -110.83 101.28 9.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.607 HG23 ' HB2' ' A' ' 21' ' ' MET . 12.9 t -76.98 -166.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -155.59 109.56 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.321 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.474 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 35.8 p30 -83.72 82.31 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -59.76 -157.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 108.331 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.653 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -149.14 -164.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.236 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.653 ' N ' HG13 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -69.05 137.14 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 109.288 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' ' CD1' ' A' ' 37' ' ' TYR . . . 70.03 22.83 77.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 16' ' ' ASN . 37.6 m-85 -166.42 123.27 1.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.405 ' O ' ' OE1' ' A' ' 43' ' ' GLN . 49.4 m -170.3 -179.13 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.36 51.35 0.51 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 10.0 t70 71.03 -60.66 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 0.804 . . . . 0.0 109.228 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 28.1 mtp-105 -86.65 -84.09 0.18 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.2 m 153.95 94.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.368 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 44' ' ' THR . 1.4 pm0 -156.93 -39.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 0.0 110.268 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 2.4 m -78.32 126.16 30.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.36 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.478 ' HG2' ' CA ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.2 m120 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -79.29 129.73 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 4' ' ' PRO . 34.4 t80 -130.29 141.41 41.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 3' ' ' TYR . 18.4 Cg_endo -75.02 121.29 6.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.43 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -167.4 146.57 10.82 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.449 1.093 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' A' ' 5' ' ' GLY . 1.9 m -157.23 78.76 3.67 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 18.5 Cg_endo -74.98 -177.76 3.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.5 p -78.0 0.67 23.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.051 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -52.45 -61.29 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.606 1.191 . . . . 0.0 110.006 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 7' ' ' PRO . 11.9 p90 -116.94 -53.32 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.43 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 24.6 t70 49.09 70.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.12 41.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -91.03 16.08 10.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 0.807 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -134.91 108.27 7.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.636 1.21 . . . . 0.0 108.251 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -91.53 159.64 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 74.48 -53.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.234 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' GLY . . . 178.92 -73.46 0.07 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.403 1.064 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . 34.84 -154.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.634 HG12 ' CG ' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -143.32 165.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 53.8 t -95.91 137.01 35.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.598 1.186 . . . . 0.0 108.365 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.554 ' O ' HG22 ' A' ' 30' ' ' THR . 10.1 mmm -158.33 127.49 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.768 ' HE1' ' O ' ' A' ' 27' ' ' ASP . 48.3 t60 -97.46 153.83 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.947 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -114.58 167.49 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.5 mm-40 -120.44 -178.51 3.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 3.0 t 87.36 -31.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.67 15.55 1.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.768 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER 53.15 29.61 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.6 OUTLIER -76.1 153.39 36.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.482 ' CD1' ' ND1' ' A' ' 22' ' ' HIS . 84.4 m-85 -114.34 150.99 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.947 ' HB ' HD11 ' A' ' 23' ' ' ILE . 10.1 t -141.16 -174.53 4.04 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -157.44 136.51 11.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.19 . . . . 0.0 108.265 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.634 ' CG ' HG12 ' A' ' 19' ' ' VAL . 9.0 m-20 -70.01 150.88 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 1.113 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 1.6 t -127.45 -152.7 0.53 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 108.268 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 37' ' ' TYR . 26.0 m -147.94 179.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.9 mt -61.24 124.57 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.369 1.043 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 90.78 14.04 58.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.623 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 67.8 m-85 -164.98 138.4 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 44' ' ' THR . 20.9 m -167.51 173.32 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.951 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.39 -166.1 20.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -56.95 -17.19 8.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 0.802 . . . . 0.0 109.273 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 13' ' ' TYR . 18.7 mtt85 -144.11 -78.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.239 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 1.113 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER 169.87 66.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.267 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.419 ' CD ' ' C ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -120.89 -33.35 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.1 m -76.17 110.32 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 14.2 mtt180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -76.91 143.52 39.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.4 t80 -136.66 133.36 18.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.077 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 108.02 2.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -164.09 155.36 26.7 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.2 m 178.03 107.13 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -74.98 -175.47 2.38 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.423 1.749 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -52.25 -20.42 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 110.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.5 t -77.19 4.23 10.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.703 ' CE2' ' CB ' ' A' ' 29' ' ' TYR . 31.9 m-85 -143.62 83.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.06 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.09 55.63 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 14' ' ' CYS . . . 98.38 -32.28 7.13 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.648 ' CE1' ' CE2' ' A' ' 10' ' ' TYR . 1.2 t80 67.86 -43.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 0.826 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.525 ' H ' ' C ' ' A' ' 12' ' ' GLY . 34.1 m -103.6 119.65 39.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -101.52 139.87 36.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER 32.25 58.35 0.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . 169.92 105.99 0.19 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.495 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . 48.27 -156.07 1.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -131.04 -178.23 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.561 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -79.22 161.53 26.31 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.552 1.157 . . . . 0.0 108.327 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.942 ' O ' HG22 ' A' ' 30' ' ' THR . 0.2 OUTLIER -154.65 108.51 2.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 28' ' ' SER . 9.0 t-80 -74.51 150.2 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.577 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.782 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -113.59 163.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -115.98 -7.94 11.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -60.59 -29.09 68.98 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -159.7 25.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.374 1.046 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.26 26.44 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 30.0 t -86.7 163.62 17.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.703 ' CB ' ' CE2' ' A' ' 10' ' ' TYR . 60.7 m-85 -115.03 117.97 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.942 HG22 ' O ' ' A' ' 21' ' ' MET . 14.7 t -101.03 -179.6 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.381 1.05 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -134.5 130.34 36.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 108.34 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.495 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 1.4 p-10 -121.96 97.08 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 1.088 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 64.5 m -84.89 -118.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 108.334 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -144.13 -169.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.456 ' C ' ' H ' ' A' ' 37' ' ' TYR . 2.1 pt -52.28 140.2 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 44' ' ' THR . . . 53.21 10.08 1.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.614 1.196 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.68 ' CZ ' ' HG2' ' A' ' 45' ' ' ARG . 5.3 m-85 -125.59 119.25 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.982 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 t -167.04 -161.57 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 110.042 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 109.02 169.3 20.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER -37.66 -30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 0.802 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.532 ' CB ' ' O ' ' A' ' 13' ' ' TYR . 33.3 mtm-85 -132.3 -64.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 1.088 ' SG ' ' CB ' ' A' ' 33' ' ' CYS . 1.2 m 173.69 22.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 108.246 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' ARG . 20.9 tt0 -65.87 -30.1 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.361 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 5.4 m -66.21 62.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.68 ' HG2' ' CZ ' ' A' ' 37' ' ' TYR . 2.2 ttp-105 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.238 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' GLU . 53.8 m-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.449 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 5.8 m -114.3 126.87 55.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.951 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' HIS . 47.9 t80 -133.22 140.1 36.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.613 1.196 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 3' ' ' TYR . 18.4 Cg_endo -74.93 118.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.525 1.802 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.7 150.92 11.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -172.4 100.41 0.36 Allowed Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.97 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.423 ' HA ' ' OD2' ' A' ' 11' ' ' ASP . 96.0 p -86.18 13.09 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -68.11 -48.34 65.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.889 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -98.34 -58.49 1.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.424 1.078 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.423 ' OD2' ' HA ' ' A' ' 8' ' ' SER . 10.9 m-20 59.25 78.31 0.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.36 40.82 0.42 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 29' ' ' TYR . 2.2 t80 -87.63 20.18 3.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.37 0.688 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -140.33 134.24 30.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.261 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 41' ' ' ARG . 2.7 mt -142.85 174.13 10.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.602 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 1.5 m120 41.42 54.2 3.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.85 77.49 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.925 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' CYS . . . -138.87 132.7 5.85 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.833 HG12 ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -89.75 169.86 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.4 t -80.89 138.46 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.237 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.732 ' O ' HG22 ' A' ' 30' ' ' THR . 2.4 mmm -160.96 113.99 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.501 ' ND1' ' CD2' ' A' ' 29' ' ' TYR . 65.9 t60 -92.35 132.78 36.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.623 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.717 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -82.91 154.48 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 1' ' ' ASN . 11.2 mt-10 -121.49 -7.61 9.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 0.0 110.384 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.546 ' O ' HD22 ' A' ' 26' ' ' LEU . 33.0 t -68.9 -38.63 79.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.634 1.209 . . . . 0.0 109.925 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -130.31 12.74 5.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.7 27.54 16.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 23' ' ' ILE . 7.5 t -95.7 170.35 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.075 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.598 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 89.1 m-85 -111.41 142.13 44.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 21' ' ' MET . 10.9 t -140.28 -162.78 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 19' ' ' VAL . 1.3 m -154.47 133.37 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.498 1.124 . . . . 0.0 108.399 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.833 ' CB ' HG12 ' A' ' 19' ' ' VAL . 15.8 t-20 -71.32 109.5 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 1.313 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 8.8 m -88.98 -153.67 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 37' ' ' TYR . 3.3 m -147.5 -177.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mt -45.86 158.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.39 1.056 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.73 33.42 0.14 Allowed Glycine 0 CA--C 1.528 0.872 0 O-C-N 124.428 1.08 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.602 ' CE1' ' HB3' ' A' ' 16' ' ' ASN . 15.7 m-85 -161.71 103.42 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.385 0.697 . . . . 0.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 44' ' ' THR . 85.0 p -160.62 168.19 25.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.64 41.06 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 18.1 t70 60.96 117.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.237 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.497 ' HG2' HD12 ' A' ' 15' ' ' LEU . 32.9 ttp-105 73.37 1.88 4.12 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 1.313 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.8 m 65.2 87.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 108.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -118.76 -46.95 2.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 38' ' ' SER . 2.3 m -65.46 98.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.4 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.538 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 3.2 ttt-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -83.16 132.19 35.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 22' ' ' HIS . 61.6 t80 -131.44 132.93 23.85 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 115.06 4.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.401 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -177.33 156.87 21.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.401 ' SG ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 172.56 108.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.429 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 18.0 Cg_endo -75.02 175.72 10.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -50.57 -26.38 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.083 . . . . 0.0 109.944 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t -66.48 -26.71 67.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 65.3 m-85 -117.19 47.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -99.21 46.6 0.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.436 ' O ' ' NH1' ' A' ' 41' ' ' ARG . . . 171.9 38.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 40' ' ' ASP . 1.1 t80 -99.03 12.01 37.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.8 122.72 15.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -129.65 173.73 10.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.409 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 87.4 m-20 44.82 65.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.403 1.064 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.19 76.59 0.17 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 33' ' ' CYS . . . -136.27 145.96 17.91 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.544 HG12 ' CB ' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -96.28 166.01 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.453 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 4.2 t -98.85 137.05 37.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.474 ' HB3' ' CG2' ' A' ' 30' ' ' THR . 2.4 tpt -155.56 131.88 10.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.628 ' CD2' ' O ' ' A' ' 28' ' ' SER . 16.2 t-80 -103.76 136.66 43.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.631 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.717 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -91.84 160.76 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -118.61 -9.06 10.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 m -55.67 -30.86 61.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -157.2 24.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.94 25.25 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.628 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 7.4 t -84.32 162.68 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 10' ' ' TYR . 83.1 m-85 -112.24 139.12 48.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.717 ' HB ' HD11 ' A' ' 23' ' ' ILE . 10.0 t -129.11 -172.48 2.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 1.2 m -161.16 134.33 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 108.348 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.544 ' CB ' HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -96.8 96.22 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 1.127 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 2.5 t -60.3 -121.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 108.339 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.811 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -147.35 -155.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.811 ' N ' HG13 ' A' ' 34' ' ' VAL . 67.4 mt -49.01 148.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 45' ' ' ARG . . . 32.38 39.11 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.08 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.573 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.0 m-85 -157.82 125.58 5.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.536 0.786 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 37' ' ' TYR . 4.8 m -169.63 -160.44 0.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.6 -165.06 12.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 30.6 m-20 -63.04 -13.49 36.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.54 ' HA ' ' O ' ' A' ' 13' ' ' TYR . 56.8 mtp85 -142.06 -87.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 1.127 ' SG ' ' CB ' ' A' ' 33' ' ' CYS . 39.9 t 176.88 33.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 0.0 108.258 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -106.0 2.05 27.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.8 m -112.76 127.06 56.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.604 1.19 . . . . 0.0 110.372 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 21.3 mtp180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' ILE . 12.9 m120 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -120.34 122.27 40.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 22' ' ' HIS . 45.7 t80 -129.04 137.82 31.84 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.569 1.168 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.3 Cg_endo -75.0 107.1 2.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -167.21 154.22 24.36 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.41 1.069 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -178.44 100.82 0.21 Allowed Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.1 Cg_endo -75.1 -176.33 2.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -87.3 14.29 8.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 109.939 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 m -74.99 -41.84 58.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 29' ' ' TYR . 92.4 m-85 -84.38 -67.82 0.77 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.7 75.6 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.97 37.43 0.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE2' ' O ' ' A' ' 29' ' ' TYR . 2.6 t80 -103.15 -6.26 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.595 ' C ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -132.02 111.09 11.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 1.054 . . . . 0.0 108.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -124.56 173.53 8.42 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 m120 52.74 67.59 0.96 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 49.42 32.58 15.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 32' ' ' ASN . . . -84.69 160.33 35.62 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 20' ' ' CYS . 45.2 t -114.38 170.77 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.65 0.853 . . . . 0.0 109.202 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.568 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -112.65 138.67 49.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' THR . 3.4 mmt -154.01 156.97 38.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.562 ' CE1' ' HA ' ' A' ' 27' ' ' ASP . 3.5 t-160 -111.01 157.75 19.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.699 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.699 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -110.17 -19.06 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' C ' ' H ' ' A' ' 26' ' ' LEU . 5.5 tt0 52.78 170.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 77.18 -25.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.094 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 24' ' ' GLU . 2.3 mt -143.2 15.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HA ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER 49.05 22.3 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.515 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -81.2 115.75 20.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.976 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 64.6 m-85 -98.29 127.52 44.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.699 ' HB ' HD11 ' A' ' 23' ' ' ILE . 5.3 t -105.21 -170.68 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.54 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.496 ' N ' ' OG1' ' A' ' 30' ' ' THR . 1.0 OUTLIER -160.78 131.25 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.639 1.212 . . . . 0.0 108.308 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.504 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 29.6 t-20 -78.88 156.87 28.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 1.285 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER -119.94 -150.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 108.311 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.638 HG22 ' H ' ' A' ' 35' ' ' ILE . 1.2 p -157.72 -162.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.363 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.638 ' H ' HG22 ' A' ' 34' ' ' VAL . 28.2 mt -72.82 128.7 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.644 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 89.94 7.76 67.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.391 1.057 . . . . 0.0 111.04 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 36' ' ' GLY . 45.0 m-85 -164.65 142.04 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.463 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 21.4 t -162.12 164.25 28.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.04 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.47 -179.13 17.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.1 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.11 -13.66 62.04 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.526 HH21 HD21 ' A' ' 15' ' ' LEU . 5.5 ttp180 -138.25 14.58 2.81 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 1.285 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 11.8 t 48.07 73.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.409 ' CD ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -125.49 -32.99 2.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.8 m -69.58 105.15 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.644 ' HG3' ' CE2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.233 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -111.67 120.28 41.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.56 ' CD1' ' HD2' ' A' ' 4' ' ' PRO . 64.3 t80 -120.93 140.72 31.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 3' ' ' TYR . 18.1 Cg_endo -75.07 109.08 2.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 6' ' ' CYS . . . 178.18 157.86 19.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.543 ' HA ' ' CE1' ' A' ' 29' ' ' TYR . 7.4 p 168.72 119.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 17.9 Cg_endo -75.11 -175.88 2.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.528 1.804 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.0 t -86.34 13.6 7.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.908 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -71.81 -36.18 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.091 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.792 ' CG ' ' CD2' ' A' ' 13' ' ' TYR . 65.6 m-85 -99.14 -8.93 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 62.59 55.78 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 88.44 -31.92 4.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.792 ' CD2' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 58.76 13.44 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.593 0.819 . . . . 0.0 111.082 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -136.61 120.5 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -119.53 176.45 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.171 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 68.9 m-80 65.32 -59.92 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.555 1.16 . . . . 0.0 109.389 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 166.39 76.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.43 156.24 23.95 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.488 ' HB ' ' OD1' ' A' ' 32' ' ' ASN . 2.1 t -91.45 158.81 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.586 0.815 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.475 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -90.58 141.79 28.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.32 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 tpt -156.07 128.46 7.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.687 ' HE1' ' O ' ' A' ' 27' ' ' ASP . 19.4 t60 -94.6 148.8 21.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.898 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -111.93 166.13 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 25' ' ' SER . 24.6 mt-10 -117.14 -178.25 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 110.219 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.8 t 88.44 -29.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.929 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.79 18.07 0.69 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.161 . . . . 0.0 109.387 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.687 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 5.8 m-20 48.86 38.32 11.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.432 ' O ' HG13 ' A' ' 23' ' ' ILE . 2.2 t -84.03 154.94 22.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 6' ' ' CYS . 72.8 m-85 -114.94 144.07 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.898 ' HB ' HD11 ' A' ' 23' ' ' ILE . 8.1 t -136.18 -176.48 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -155.72 123.58 5.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 108.386 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.488 ' OD1' ' HB ' ' A' ' 19' ' ' VAL . 14.6 p-10 -77.9 109.11 11.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.212 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 9.4 m -78.41 -145.37 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.533 1.145 . . . . 0.0 108.237 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' N ' ' A' ' 35' ' ' ILE . 1.8 m -144.65 -178.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.724 ' N ' HG23 ' A' ' 34' ' ' VAL . 1.7 mm -69.65 102.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 116.82 8.38 12.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.399 1.062 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.674 ' CE2' ' HG3' ' A' ' 45' ' ' ARG . 31.2 m-85 -148.92 130.41 14.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 0.725 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.428 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 7.4 p -161.56 164.26 29.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 135.98 48.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' GLY . 4.9 p-10 37.96 38.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 0.734 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.472 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 10.1 ttp180 177.08 -27.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.64 1.212 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.472 ' SG ' ' C ' ' A' ' 41' ' ' ARG . 1.6 m 81.76 79.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.465 ' OE1' ' NE ' ' A' ' 41' ' ' ARG . 4.9 mt-30 -134.49 -37.7 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 m -79.39 118.15 21.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.674 ' HG3' ' CE2' ' A' ' 37' ' ' TYR . 2.5 ttm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.346 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ASN . . . . . 0.518 ' ND2' ' HB2' ' A' ' 24' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -71.66 122.52 20.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.0 t80 -125.71 135.16 26.62 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.368 1.043 . . . . 0.0 110.978 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.97 4.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -170.04 152.57 19.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -174.8 94.74 0.29 Allowed Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 18.0 Cg_endo -74.96 -178.29 4.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -53.78 -24.41 15.19 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.26 4.18 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.405 1.065 . . . . 0.0 110.022 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.709 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 60.8 m-85 -143.33 77.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.5 1.125 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.29 56.17 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.382 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.424 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 99.84 -31.76 8.03 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.528 1.143 . . . . 0.0 111.083 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' CD2' ' A' ' 10' ' ' TYR . 5.4 t80 47.15 20.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.494 0.761 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 36.0 m -132.01 145.9 51.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.932 HD13 ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -145.55 162.95 36.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.58 1.175 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.624 ' OD1' HD23 ' A' ' 15' ' ' LEU . 2.9 m120 76.78 -53.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.37 80.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.78 149.53 21.16 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.7 t -90.94 151.66 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 1.8 t -80.18 135.86 36.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 108.412 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.533 ' O ' HG22 ' A' ' 30' ' ' THR . 1.1 tpt -155.42 123.45 5.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 3' ' ' TYR . 31.7 t60 -89.66 154.08 20.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.832 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -116.85 168.87 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 25' ' ' SER . 8.5 mt-10 -122.08 -178.32 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.9 t 88.7 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.46 17.48 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.201 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.475 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 62.8 m-20 50.84 38.25 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.611 ' OG ' HD12 ' A' ' 23' ' ' ILE . 2.6 t -85.43 156.45 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.936 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.709 ' CD1' ' CZ ' ' A' ' 10' ' ' TYR . 63.5 m-85 -117.09 146.84 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.832 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.9 t -139.65 -168.95 2.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.2 m -154.53 134.13 12.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 108.228 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' VAL . 5.0 m-20 -70.08 105.69 2.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.138 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 3.4 m -90.98 -162.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 108.235 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.443 HG22 ' HB2' ' A' ' 37' ' ' TYR . 3.9 m -147.77 -175.04 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.627 ' C ' ' H ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -42.81 132.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.55 -35.12 0.17 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.609 1.193 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.627 ' H ' ' C ' ' A' ' 35' ' ' ILE . 38.8 m-85 -77.89 117.74 19.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.411 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 60.4 p -152.61 -160.13 1.1 Allowed 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 42' ' ' CYS . . . 74.5 132.99 0.27 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 7.7 p-10 -33.56 117.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.618 0.834 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.688 ' O ' HD22 ' A' ' 15' ' ' LEU . 9.7 mtp85 85.85 16.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.578 ' N ' ' O ' ' A' ' 39' ' ' GLY . 3.6 m 41.18 60.08 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 108.367 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.01 -33.11 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.1 m -69.49 89.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.583 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 5.5 ttm105 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.466 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 18.3 m -155.03 158.18 38.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.601 ' CZ ' ' OE2' ' A' ' 24' ' ' GLU . 30.5 m-85 -143.33 140.47 17.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 83.68 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.407 1.741 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' SG ' ' A' ' 20' ' ' CYS . . . -142.43 163.17 27.21 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.05 111.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.606 ' O ' ' CB ' ' A' ' 8' ' ' SER . 18.5 Cg_endo -75.04 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.453 1.765 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.606 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 3.6 p 95.05 -6.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.964 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -76.65 -0.73 24.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.562 ' OH ' ' CD1' ' A' ' 29' ' ' TYR . 47.3 m-85 -85.38 -89.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER 157.33 89.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 14' ' ' CYS . . . 39.42 52.51 2.91 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.423 1.077 . . . . 0.0 111.039 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -43.87 -21.93 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 0.715 . . . . 0.0 111.012 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -130.02 109.83 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.579 1.175 . . . . 0.0 108.312 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -125.44 165.33 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.235 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER 82.11 -54.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.52 78.56 0.03 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 32' ' ' ASN . . . -151.25 149.24 20.99 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.587 HG12 ' HB2' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -85.59 168.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.564 0.803 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 10.6 t -100.4 127.2 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 108.288 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.85 ' O ' HG22 ' A' ' 30' ' ' THR . 4.0 mmt -138.28 117.19 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.668 ' CE1' ' CE1' ' A' ' 29' ' ' TYR . 11.9 t60 -85.79 137.6 32.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.794 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -97.11 157.38 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.366 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.601 ' OE2' ' CZ ' ' A' ' 3' ' ' TYR . 2.0 mt-10 -119.01 -5.67 10.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.387 1.054 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 t -57.58 -27.19 62.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -161.86 26.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.458 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 0.4 OUTLIER 63.69 25.28 14.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' ILE . 3.5 t -87.06 165.73 15.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.023 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.668 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 5.9 m-85 -118.32 147.95 42.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 21' ' ' MET . 15.3 t -138.22 -175.0 3.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -153.95 127.85 8.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 108.266 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.587 ' HB2' HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -77.17 94.45 4.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.383 1.052 . . . . 0.0 109.332 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 1.154 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 2.3 t -61.13 -147.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -151.0 -162.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.213 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.682 ' N ' HG13 ' A' ' 34' ' ' VAL . 1.1 mm -77.09 128.2 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.461 1.1 . . . . 0.0 109.222 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.616 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 90.68 3.7 70.9 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.562 1.164 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 36' ' ' GLY . 64.5 m-85 -157.29 143.89 18.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.033 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 5.0 m -160.19 -178.05 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.951 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 41' ' ' ARG . . . 108.48 177.31 21.89 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.611 ' OD2' ' CE1' ' A' ' 13' ' ' TYR . 27.2 t70 -45.16 -25.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.542 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 4.0 mtt180 -128.4 -82.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 1.154 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER 172.15 26.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 108.304 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -76.03 -27.54 57.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 6.3 m -75.18 91.78 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 0.0 110.427 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.614 ' CG ' ' CE2' ' A' ' 37' ' ' TYR . 2.2 mtm-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -74.69 130.58 39.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.439 1.087 . . . . 0.0 109.897 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' HIS . 63.4 t80 -125.38 132.52 24.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.2 Cg_endo -74.98 108.42 2.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.574 1.828 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.24 150.64 22.71 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 10' ' ' TYR . 1.7 t -177.07 82.99 0.25 Allowed Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.489 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -75.02 176.51 9.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.401 1.737 . . . . 0.0 111.058 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.0 t -56.14 -21.32 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.2 t -81.87 6.57 15.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.97 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.727 ' CZ ' ' CG ' ' A' ' 29' ' ' TYR . 24.1 m-85 -138.57 68.53 1.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -113.77 55.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.376 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.51 42.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' C ' ' CG ' ' A' ' 41' ' ' ARG . 7.3 t80 -102.66 12.1 36.8 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.517 0.775 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 1.6 m -133.25 121.69 22.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 108.305 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.63 HD11 ' HD2' ' A' ' 41' ' ' ARG . 13.5 mt -111.76 -175.94 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.0 m120 48.16 23.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 15' ' ' LEU . . . 68.21 70.22 1.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.4 163.73 14.77 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 20' ' ' CYS . 4.1 t -88.23 168.35 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.397 0.704 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.438 ' H ' HG12 ' A' ' 19' ' ' VAL . 2.0 t -96.4 136.49 36.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.427 ' HB3' ' CG2' ' A' ' 30' ' ' THR . 0.0 OUTLIER -154.08 135.9 14.51 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.538 1.148 . . . . 0.0 111.008 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.62 ' CE1' ' CE1' ' A' ' 29' ' ' TYR . 19.4 t60 -102.74 148.44 25.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.621 1.201 . . . . 0.0 109.547 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.631 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -109.37 155.47 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -116.01 -18.39 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.5 t -54.59 -20.26 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.178 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 1.3 mt -164.04 31.98 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 3.1 p-10 46.1 28.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.428 ' O ' HG13 ' A' ' 23' ' ' ILE . 3.6 t -89.21 169.02 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.727 ' CG ' ' CZ ' ' A' ' 10' ' ' TYR . 11.8 m-85 -116.31 144.06 44.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.631 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.7 t -133.73 -170.15 2.44 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.461 1.1 . . . . 0.0 110.466 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -157.77 132.96 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -72.01 90.7 1.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 4.7 m -75.12 -135.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 108.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.1 -176.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.438 ' H ' HG23 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -54.14 151.8 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.288 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.87 22.51 2.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.624 1.203 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.693 ' CZ ' ' HG3' ' A' ' 45' ' ' ARG . 10.3 m-85 -147.36 114.05 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 0.717 . . . . 0.0 110.987 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 p -164.78 -154.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.581 1.176 . . . . 0.0 109.958 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.52 -73.62 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 22.0 t70 -177.74 108.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.63 ' HD2' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER 78.43 13.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.174 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 3.5 m 68.32 69.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 108.305 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.447 ' HA ' ' OE1' ' A' ' 43' ' ' GLN . 3.6 tp-100 -119.58 -44.56 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 110.326 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.3 m -65.72 72.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.693 ' HG3' ' CZ ' ' A' ' 37' ' ' TYR . 41.9 ttp-105 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -86.46 121.49 29.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' HIS . 61.8 t80 -126.3 135.49 27.25 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 122.18 7.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.532 ' O ' ' CB ' ' A' ' 6' ' ' CYS . . . 165.57 157.84 10.23 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.497 1.123 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.548 ' HA ' ' CE1' ' A' ' 29' ' ' TYR . 1.8 p 157.43 89.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.504 ' C ' ' N ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.94 172.58 16.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.066 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 10' ' ' TYR . 8.5 t 47.39 15.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.123 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.504 ' N ' ' C ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 46.86 22.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.949 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 29' ' ' TYR . 1.7 m-85 31.39 38.36 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.554 1.159 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' SER . 22.4 t70 61.98 74.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.18 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.44 40.03 1.86 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CD1' ' HB3' ' A' ' 10' ' ' TYR . 8.4 t80 -44.36 -24.54 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.496 0.762 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -124.49 143.18 50.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 108.297 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -162.33 173.25 14.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.563 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 80.2 m-20 52.53 66.4 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.24 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.45 34.36 59.7 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 32' ' ' ASN . . . -102.22 122.83 7.67 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 15.6 t -82.81 161.15 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.6 0.824 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 1.7 t -98.65 133.99 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.604 ' O ' HG22 ' A' ' 30' ' ' THR . 73.3 mmm -154.26 117.78 4.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 57.9 t60 -88.66 131.4 35.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.626 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -80.55 159.2 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 1' ' ' ASN . 39.7 mt-10 -119.26 -35.95 3.48 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.575 1.172 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.505 ' O ' HD22 ' A' ' 26' ' ' LEU . 70.1 m -55.94 -36.92 68.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.557 1.161 . . . . 0.0 109.871 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.505 HD22 ' O ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -120.73 15.45 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.437 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER 44.18 24.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.356 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.562 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -97.45 174.04 6.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.019 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 10' ' ' TYR . 41.5 m-85 -111.67 142.14 44.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.661 HG23 ' N ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -131.3 -171.65 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.441 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.661 ' N ' HG23 ' A' ' 30' ' ' THR . 1.5 m -162.56 118.89 1.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 108.245 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.458 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 52.0 t30 -74.51 93.46 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.61 1.194 . . . . 0.0 109.351 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 42' ' ' CYS . 7.7 m -67.01 -147.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.288 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.822 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -151.28 -162.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.822 ' N ' HG13 ' A' ' 34' ' ' VAL . 1.3 mm -57.76 154.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 45' ' ' ARG . . . 37.66 29.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 16' ' ' ASN . 6.4 m-85 -151.47 116.56 5.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 0.76 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.1 p -161.27 -168.79 2.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 103.84 44.75 1.6 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.385 1.053 . . . . 0.0 110.905 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 39' ' ' GLY . 22.7 m-20 38.09 48.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.463 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 16.6 ttm105 174.6 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 1.8 m 83.7 20.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -83.88 -22.14 31.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.596 1.185 . . . . 0.0 110.239 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -92.82 126.34 37.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 27.9 mtm180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ASN . . . . . 0.491 ' OD1' ' CB ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -75.19 128.96 36.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.5 t80 -126.55 139.3 34.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.044 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.0 Cg_endo -75.11 113.96 3.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.428 1.751 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -170.63 151.93 17.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -174.78 95.94 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.0 -176.82 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -86.62 11.15 13.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.403 1.065 . . . . 0.0 110.082 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 t -67.84 -50.3 57.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.949 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.593 ' OH ' ' CD2' ' A' ' 29' ' ' TYR . 8.6 m-85 -88.59 -62.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 t70 53.67 72.66 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.33 40.37 0.15 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.61 ' CE2' ' OD2' ' A' ' 40' ' ' ASP . 2.0 t80 -100.46 2.26 41.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -138.66 114.0 9.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 108.322 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD12 ' CB ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -110.68 -179.17 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.552 ' CG ' ' CD2' ' A' ' 37' ' ' TYR . 34.7 m120 43.96 61.74 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.34 41.53 12.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.8 142.2 17.6 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.591 HG12 ' HB2' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -80.2 170.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.41 0.712 . . . . 0.0 109.208 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.537 ' N ' HG13 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -113.67 138.51 50.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 108.319 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.48 ' O ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -154.87 132.29 11.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.571 1.17 . . . . 0.0 110.971 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' TYR . 25.7 t60 -95.52 152.1 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.659 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.942 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -114.94 169.03 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.403 1.065 . . . . 0.0 109.352 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.4 mm-40 -122.55 -177.46 3.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.7 t 88.28 -29.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.1 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.3 17.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.45 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 2.7 m-20 50.86 38.4 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.066 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' ILE . 2.5 t -85.51 154.99 21.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.19 . . . . 0.0 109.959 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.593 ' CD2' ' OH ' ' A' ' 10' ' ' TYR . 19.4 m-85 -116.9 149.88 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.942 ' HB ' HD11 ' A' ' 23' ' ' ILE . 9.3 t -139.6 -173.03 3.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 1.7 m -158.54 143.83 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.198 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.591 ' HB2' HG12 ' A' ' 19' ' ' VAL . 88.9 m-20 -94.57 148.96 21.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.373 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -119.38 -159.43 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 108.315 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' A' ' 37' ' ' TYR . 1.2 m -149.42 159.87 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -34.47 138.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . 86.45 -33.77 3.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.618 1.199 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.638 ' HA ' ' O ' ' A' ' 44' ' ' THR . 57.5 m-85 -122.95 142.06 51.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 0.771 . . . . 0.0 111.049 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.486 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 59.8 p -158.96 -178.54 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.933 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 114.38 159.11 12.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.61 ' OD2' ' CE2' ' A' ' 13' ' ' TYR . 35.2 t70 -36.35 -32.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.582 ' CB ' HD12 ' A' ' 15' ' ' LEU . 25.7 mtm-85 -122.67 -48.74 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.2 m 153.43 38.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 108.333 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.53 ' CG ' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -53.2 -55.32 25.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.638 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.2 m -56.63 139.3 50.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 36' ' ' GLY . 39.2 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 4.4 m120 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -114.47 138.72 50.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' HIS . 4.1 t80 -146.43 132.46 9.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.58 3.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.83 151.61 19.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.9 t -178.07 89.11 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.596 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.0 Cg_endo -75.04 179.04 6.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 m -92.0 17.72 8.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.428 1.08 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.5 m -78.1 -19.05 54.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.525 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 46.3 m-85 -92.26 -98.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER 153.89 88.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.376 1.048 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' CYS . . . 42.93 46.9 6.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.375 1.047 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.9 t80 -34.48 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 111.022 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m -103.89 122.37 45.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 108.257 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -127.21 166.5 17.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.395 1.06 . . . . 0.0 109.352 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.467 ' OD1' ' CB ' ' A' ' 42' ' ' CYS . 5.0 m120 80.33 -50.93 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.6 80.13 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.409 1.068 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' CA ' ' O ' ' A' ' 32' ' ' ASN . . . -151.94 156.74 26.86 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.06 165.02 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.474 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 2.0 t -113.39 136.42 52.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 108.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.694 ' HG3' HG23 ' A' ' 30' ' ' THR . 2.1 ppp? -145.54 138.54 26.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.774 ' CE1' ' CE1' ' A' ' 29' ' ' TYR . 10.2 t60 -90.03 146.84 24.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.122 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.058 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -110.22 155.1 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' CB ' ' HB2' ' A' ' 1' ' ' ASN . 11.9 mt-10 -112.05 -6.16 14.21 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.8 t -58.68 -29.04 66.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 110.049 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -158.08 24.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.586 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 0.3 OUTLIER 58.02 29.81 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' HG13 ' A' ' 23' ' ' ILE . 23.3 t -99.03 159.54 14.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.602 1.189 . . . . 0.0 109.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.774 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 51.1 m-85 -110.33 134.58 52.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.598 1.186 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 1.058 ' HB ' HD11 ' A' ' 23' ' ' ILE . 5.1 t -122.94 -174.03 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.618 ' CB ' ' HA ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -150.29 156.1 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 108.326 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.448 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 35.7 p-10 -126.43 134.33 51.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.619 1.199 . . . . 0.0 109.267 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -111.32 -144.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 108.265 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 37' ' ' TYR . 14.4 m -143.5 178.58 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' VAL . 3.9 mt -37.98 132.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.671 ' O ' ' HA ' ' A' ' 45' ' ' ARG . . . 80.76 8.3 87.64 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 91.3 m-85 -166.1 134.75 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 111.006 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.611 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 0.2 OUTLIER 179.88 -164.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.522 ' N ' ' OG ' ' A' ' 38' ' ' SER . . . 104.14 -132.97 11.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.413 1.071 . . . . 0.0 111.046 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' OD1' ' CE2' ' A' ' 13' ' ' TYR . 10.4 t70 -73.15 -14.62 61.4 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 0.735 . . . . 0.0 109.225 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.618 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -166.43 -87.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.467 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 89.8 m -148.89 18.21 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.573 1.171 . . . . 0.0 108.257 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' ARG . 27.2 tt0 -66.55 -48.7 68.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.39 1.056 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 30.1 m -66.21 69.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.484 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.671 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 16.0 ptm180 -68.56 55.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.386 1.054 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.512 ' O ' ' CA ' ' A' ' 36' ' ' GLY . 10.5 t70 -129.34 179.43 5.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.353 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.625 ' O ' ' CZ2' ' A' ' 50' ' ' TRP . 3.2 mm? -82.82 -114.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' TRP . 0.5 OUTLIER 71.35 87.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.365 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.82 99.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.625 ' CZ2' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -109.28 65.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -164.12 149.05 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.41 150.36 48.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.7 m120 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.594 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 67.5 m -162.96 144.29 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.891 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.598 ' CE1' ' HB2' ' A' ' 24' ' ' GLU . 3.2 m-85 -143.36 133.91 12.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.81 0.96 Allowed 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 20' ' ' CYS . . . -150.12 144.26 11.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.6 94.94 0.57 Allowed Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.18 3.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.563 1.822 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.4 p -53.99 -20.35 6.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.955 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -46.89 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' CD1' ' HE1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -104.27 -58.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.076 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 t70 58.1 80.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' CYS . . . 107.32 40.27 1.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.408 1.068 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -41.33 -26.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.065 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.156 ' SG ' ' CB ' ' A' ' 31' ' ' CYS . 48.4 m -110.22 156.8 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.32 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.607 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -144.95 138.37 26.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.607 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER 21.81 56.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 42' ' ' CYS . . . -158.97 -89.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . -114.71 -157.41 11.73 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.503 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 15.0 t -116.37 154.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.406 0.709 . . . . 0.0 109.285 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 8.9 t -71.24 137.68 48.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.59 1.181 . . . . 0.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.779 ' O ' HG22 ' A' ' 30' ' ' THR . 1.2 mtp -146.66 114.98 6.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.575 ' HE1' ' O ' ' A' ' 27' ' ' ASP . 65.3 t60 -92.03 134.15 35.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.601 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.766 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -89.07 162.95 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.598 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 5.1 mm-40 -124.0 -3.53 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.0 p -63.52 -27.92 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.083 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.49 22.74 0.47 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.552 1.158 . . . . 0.0 109.392 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.575 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER 60.63 29.06 18.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 23' ' ' ILE . 29.4 t -92.73 160.93 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.019 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.518 ' HA ' ' HA ' ' A' ' 22' ' ' HIS . 31.8 m-85 -110.69 138.45 47.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 111.055 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 21' ' ' MET . 15.1 t -129.84 -166.52 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 1.156 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -160.58 123.76 3.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 108.285 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 19' ' ' VAL . 12.4 p30 -85.97 86.05 7.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.414 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.95 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.4 OUTLIER -64.45 -160.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.326 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -141.07 -170.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -59.36 150.48 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 46' ' ' ASP . . . 45.45 24.42 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.608 ' CE1' ' HG3' ' A' ' 45' ' ' ARG . 12.0 m-85 -149.92 118.7 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -163.99 -177.15 4.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 109.69 57.33 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.426 1.078 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 7.4 t70 70.31 -59.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.339 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.529 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 7.3 mtm180 -100.2 -71.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.95 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 1.1 m 157.36 42.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 108.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.521 ' CG ' HH11 ' A' ' 41' ' ' ARG . 2.1 mt-30 -89.6 -31.6 17.5 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -81.58 97.39 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.635 ' NH1' ' CZ3' ' A' ' 50' ' ' TRP . 2.1 ttp85 -81.35 90.93 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.353 1.033 . . . . 0.0 110.306 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.524 ' C ' HD22 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -80.92 -148.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.524 HD22 ' C ' ' A' ' 46' ' ' ASP . 2.9 mm? -131.7 -95.26 0.35 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER 77.79 75.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 110.24 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.709 ' CG ' ' O ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER 42.06 94.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.636 1.21 . . . . 0.0 108.039 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.635 ' CZ3' ' NH1' ' A' ' 45' ' ' ARG . 1.6 m0 -121.52 -178.24 3.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 108.045 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.39 149.76 49.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.208 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 pp -127.35 148.05 50.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.396 1.06 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.427 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -104.39 133.61 49.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' HIS . 51.2 t80 -130.06 136.06 28.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.377 1.048 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.1 Cg_endo -75.12 113.37 3.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.85 155.97 23.97 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.402 1.064 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 3.1 t -179.7 101.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.1 Cg_endo -75.02 -176.17 2.74 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.3 p -88.9 17.01 6.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.4 t -80.66 -42.8 21.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.075 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.786 ' CG ' ' CD2' ' A' ' 13' ' ' TYR . 2.4 m-85 -100.67 13.96 33.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 43.98 52.84 6.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 88.63 -27.59 7.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.148 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.786 ' CD2' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 60.38 11.16 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 110.961 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 2.6 m -133.06 124.39 27.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.365 1.041 . . . . 0.0 108.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -122.15 176.65 5.72 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.524 1.14 . . . . 0.0 109.393 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 3.3 m-20 70.02 -55.83 0.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.398 1.061 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 156.32 81.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.391 1.057 . . . . 0.0 111.027 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.09 29.49 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 t -93.05 164.92 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.444 0.732 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 t -107.69 144.9 34.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.571 ' O ' HG22 ' A' ' 30' ' ' THR . 9.6 mtp -151.01 133.91 15.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.83 ' CE1' ' CE1' ' A' ' 29' ' ' TYR . 1.8 t60 -84.43 153.95 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.564 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.886 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -109.58 -19.47 6.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 23' ' ' ILE . 8.1 pt-20 46.75 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER 83.6 -33.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.75 12.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.86 37.52 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.43 ' O ' HG13 ' A' ' 23' ' ' ILE . 3.0 t -94.89 143.32 26.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 110.04 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.83 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 26.0 m-85 -121.41 142.41 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.886 ' HB ' HD11 ' A' ' 23' ' ' ILE . 5.5 t -130.63 -177.27 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -156.01 147.1 22.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 108.243 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 19' ' ' VAL . 11.2 p-10 -119.01 118.53 31.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 1.051 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 6.8 t -84.03 -106.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 108.339 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.406 ' H ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -151.6 -169.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.418 ' HB ' ' NE1' ' A' ' 50' ' ' TRP . 1.5 mt -51.17 137.92 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . 47.89 32.9 9.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.591 1.182 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.641 ' CZ ' ' HB3' ' A' ' 45' ' ' ARG . 5.4 m-85 -149.19 121.45 8.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 0.759 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 t -177.65 -140.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 99.64 41.86 2.83 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 9.3 t70 87.92 -35.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 0.793 . . . . 0.0 109.342 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 42' ' ' CYS . 55.1 mtt85 -128.26 -85.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 1.051 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 45.0 t 176.86 35.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -97.74 -22.55 16.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 m -96.28 102.85 14.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.354 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.641 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -102.9 106.73 17.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' GLY . 14.5 t70 -40.43 -91.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 4.4 mt -128.75 -48.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 0.0 109.223 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.58 ' HG3' ' CZ2' ' A' ' 50' ' ' TRP . 23.6 ttt180 85.23 51.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.242 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -15.2 50.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 107.963 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.58 ' CZ2' ' HG3' ' A' ' 48' ' ' ARG . 10.2 p-90 -81.67 81.82 7.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 107.997 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -141.14 -55.52 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -119.03 145.1 46.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.598 1.187 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 110.38 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 24' ' ' GLU . 13.4 m120 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -113.85 136.82 52.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' HIS . 71.7 t80 -143.72 126.37 8.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 102.18 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.595 1.84 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.2 157.03 26.99 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.418 1.074 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 177.9 97.61 0.14 Allowed Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.447 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -75.04 173.46 14.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.597 1.841 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -51.91 -27.24 12.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t -66.8 -18.06 65.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.057 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 29' ' ' TYR . 74.5 m-85 -123.08 51.74 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.04 47.56 0.87 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.94 37.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CZ ' ' O ' ' A' ' 29' ' ' TYR . 6.6 t80 -99.48 -14.07 19.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -106.92 160.4 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.599 HD23 ' CB ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -99.92 -161.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.381 1.051 . . . . 0.0 109.367 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -60.07 -13.75 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.225 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -144.63 74.41 0.31 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . -164.95 133.03 2.84 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.2 t -98.65 131.99 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 0.813 . . . . 0.0 109.234 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -69.43 127.75 34.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 108.328 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.479 ' CG ' HG22 ' A' ' 30' ' ' THR . 13.1 ptm -143.32 168.04 20.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.482 ' O ' ' O ' ' A' ' 3' ' ' TYR . 26.7 t60 -126.81 136.31 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.543 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.804 ' N ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -103.87 119.46 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 1' ' ' ASN . 1.2 mm-40 -79.79 -17.25 53.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.7 p -57.8 -24.44 57.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mt -155.03 21.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 46.62 39.97 7.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.578 ' O ' HG12 ' A' ' 23' ' ' ILE . 32.9 t -99.24 164.35 12.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 10' ' ' TYR . 14.1 m-85 -119.37 116.61 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.598 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.4 t -122.27 -165.17 1.24 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.541 1.151 . . . . 0.0 110.455 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.5 m -146.06 118.4 8.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 108.348 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.6 OUTLIER -63.06 100.54 0.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 1.072 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -76.27 -159.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 108.349 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.459 HG23 ' HB2' ' A' ' 37' ' ' TYR . 6.0 m -141.15 -169.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.651 1.22 . . . . 0.0 109.288 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.629 HD12 ' CD1' ' A' ' 49' ' ' TRP . 1.3 mt -57.71 154.64 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.321 1.013 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.474 ' HA2' ' CB ' ' A' ' 46' ' ' ASP . . . 36.98 29.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 7.4 m-85 -151.68 118.81 5.89 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.479 0.752 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -160.54 -175.39 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.941 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 106.71 63.55 0.6 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.477 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 0.9 OUTLIER 67.89 -66.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.599 ' CB ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -96.99 -71.77 0.67 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 1.072 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER 156.94 46.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.09 . . . . 0.0 108.313 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.4 pt20 -92.04 -19.97 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.8 m -95.2 113.01 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.573 ' HG2' ' CE1' ' A' ' 37' ' ' TYR . 3.4 mtm-85 -92.03 100.35 13.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.929 ' O ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -73.43 -31.75 64.01 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.55 1.156 . . . . 0.0 109.389 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.929 HD22 ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -161.08 -161.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 50' ' ' TRP . 17.4 ttp180 -144.57 51.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.623 1.202 . . . . 0.0 110.264 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.629 ' CD1' HD12 ' A' ' 35' ' ' ILE . 23.7 t-105 -64.24 80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 107.957 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.613 ' CG ' ' O ' ' A' ' 49' ' ' TRP . 2.3 m95 -164.66 -54.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.5 143.57 27.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tt -134.71 -54.83 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 22' ' ' HIS . 33.5 m -75.21 137.08 41.01 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.529 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 67.9 t80 -142.5 138.45 16.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.811 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.7 160.66 31.24 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.0 96.88 0.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.586 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.02 -177.94 3.82 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.595 1.84 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -60.92 -17.58 51.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.1 t -41.68 -54.85 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.624 ' CD2' ' CD1' ' A' ' 13' ' ' TYR . 16.7 m-85 -97.52 -56.78 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 60.87 79.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.04 35.03 5.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.624 ' CD1' ' CD2' ' A' ' 10' ' ' TYR . 3.6 t80 -48.06 -23.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.736 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -129.43 130.44 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 108.322 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -133.69 141.76 47.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.629 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER 32.94 63.39 0.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.406 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.498 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -167.87 -79.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . -140.4 -141.79 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 20' ' ' CYS . 24.1 t -128.36 170.92 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 0.767 . . . . 0.0 109.393 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.537 ' N ' HG12 ' A' ' 19' ' ' VAL . 35.9 t -89.45 148.27 23.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.411 1.07 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.607 ' HB2' HG23 ' A' ' 30' ' ' THR . 1.2 mtp -138.63 163.72 31.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.567 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 2.6 t-160 -122.64 136.12 54.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.652 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -87.35 -32.56 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 3' ' ' TYR . 0.3 OUTLIER 68.08 -57.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.358 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 29.9 t -53.88 -18.48 3.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.117 . . . . 0.0 109.949 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -132.09 15.52 4.67 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 43.65 29.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 109.258 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.523 ' O ' HG13 ' A' ' 23' ' ' ILE . 21.5 t -107.15 151.62 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.618 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 84.8 m-85 -110.83 101.28 9.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.607 HG23 ' HB2' ' A' ' 21' ' ' MET . 12.9 t -76.98 -166.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -155.59 109.56 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.321 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.474 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 35.8 p30 -83.72 82.31 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -59.76 -157.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 108.331 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.653 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -149.14 -164.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.236 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.653 ' N ' HG13 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -69.05 137.14 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 109.288 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' ' CD1' ' A' ' 37' ' ' TYR . . . 70.03 22.83 77.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 16' ' ' ASN . 37.6 m-85 -166.42 123.27 1.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.405 ' O ' ' OE1' ' A' ' 43' ' ' GLN . 49.4 m -170.3 -179.13 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.36 51.35 0.51 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 10.0 t70 71.03 -60.66 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 0.804 . . . . 0.0 109.228 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 28.1 mtp-105 -86.65 -84.09 0.18 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.2 m 153.95 94.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.368 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 44' ' ' THR . 1.4 pm0 -156.93 -39.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 0.0 110.268 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 2.4 m -78.32 126.16 30.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.36 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.478 ' HG2' ' CA ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -77.4 102.32 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' CB ' HD22 ' A' ' 47' ' ' LEU . 1.3 m-20 -102.12 -167.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' ' 35' ' ' ILE . 2.5 mm? 56.54 -96.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.466 ' CG ' ' HG3' ' A' ' 51' ' ' GLU . 18.1 ttp-105 53.52 30.67 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -90.87 16.84 8.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 107.979 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -132.86 12.66 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' HG3' ' CG ' ' A' ' 48' ' ' ARG . 12.2 pt-20 -162.36 153.76 18.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.239 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.44 -52.89 3.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.189 . . . . 0.0 109.214 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.2 m120 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -79.29 129.73 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 4' ' ' PRO . 34.4 t80 -130.29 141.41 41.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 3' ' ' TYR . 18.4 Cg_endo -75.02 121.29 6.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -167.4 146.57 10.82 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.449 1.093 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' A' ' 5' ' ' GLY . 1.9 m -157.23 78.76 3.67 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 18.5 Cg_endo -74.98 -177.76 3.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.5 p -78.0 0.67 23.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.051 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -52.45 -61.29 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.606 1.191 . . . . 0.0 110.006 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 7' ' ' PRO . 11.9 p90 -116.94 -53.32 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 24.6 t70 49.09 70.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.12 41.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -91.03 16.08 10.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 0.807 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -134.91 108.27 7.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.636 1.21 . . . . 0.0 108.251 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -91.53 159.64 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 74.48 -53.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.234 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' GLY . . . 178.92 -73.46 0.07 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.403 1.064 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . 34.84 -154.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.634 HG12 ' CG ' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -143.32 165.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 53.8 t -95.91 137.01 35.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.598 1.186 . . . . 0.0 108.365 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.554 ' O ' HG22 ' A' ' 30' ' ' THR . 10.1 mmm -158.33 127.49 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.768 ' HE1' ' O ' ' A' ' 27' ' ' ASP . 48.3 t60 -97.46 153.83 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.947 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -114.58 167.49 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.5 mm-40 -120.44 -178.51 3.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 3.0 t 87.36 -31.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.67 15.55 1.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.768 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER 53.15 29.61 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.6 OUTLIER -76.1 153.39 36.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.482 ' CD1' ' ND1' ' A' ' 22' ' ' HIS . 84.4 m-85 -114.34 150.99 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.947 ' HB ' HD11 ' A' ' 23' ' ' ILE . 10.1 t -141.16 -174.53 4.04 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -157.44 136.51 11.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.19 . . . . 0.0 108.265 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.634 ' CG ' HG12 ' A' ' 19' ' ' VAL . 9.0 m-20 -70.01 150.88 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 1.113 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 1.6 t -127.45 -152.7 0.53 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 108.268 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 37' ' ' TYR . 26.0 m -147.94 179.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.619 ' HA ' ' CZ2' ' A' ' 50' ' ' TRP . 2.9 mt -61.24 124.57 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.369 1.043 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 90.78 14.04 58.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.623 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 67.8 m-85 -164.98 138.4 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 44' ' ' THR . 20.9 m -167.51 173.32 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.951 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.39 -166.1 20.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -56.95 -17.19 8.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 0.802 . . . . 0.0 109.273 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 13' ' ' TYR . 18.7 mtt85 -144.11 -78.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.239 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 1.113 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER 169.87 66.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.267 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.419 ' CD ' ' C ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -120.89 -33.35 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.1 m -76.17 110.32 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 14.2 mtt180 -76.63 114.4 15.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -31.76 71.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 5.3 mt 41.04 72.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.558 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 1.4 mmt85 161.32 91.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.483 ' HA ' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -42.4 143.2 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.619 ' CZ2' ' HA ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -107.88 -39.19 5.62 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.554 1.159 . . . . 0.0 107.996 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.64 144.17 29.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -107.37 -54.26 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.62 1.2 . . . . 0.0 110.301 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -76.91 143.52 39.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.4 t80 -136.66 133.36 18.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.077 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 108.02 2.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -164.09 155.36 26.7 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.2 m 178.03 107.13 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -74.98 -175.47 2.38 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.423 1.749 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -52.25 -20.42 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 110.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.5 t -77.19 4.23 10.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.703 ' CE2' ' CB ' ' A' ' 29' ' ' TYR . 31.9 m-85 -143.62 83.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.06 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.09 55.63 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 14' ' ' CYS . . . 98.38 -32.28 7.13 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.648 ' CE1' ' CE2' ' A' ' 10' ' ' TYR . 1.2 t80 67.86 -43.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 0.826 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.525 ' H ' ' C ' ' A' ' 12' ' ' GLY . 34.1 m -103.6 119.65 39.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -101.52 139.87 36.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER 32.25 58.35 0.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . 169.92 105.99 0.19 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.495 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . 48.27 -156.07 1.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -131.04 -178.23 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.561 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -79.22 161.53 26.31 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.552 1.157 . . . . 0.0 108.327 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.942 ' O ' HG22 ' A' ' 30' ' ' THR . 0.2 OUTLIER -154.65 108.51 2.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 28' ' ' SER . 9.0 t-80 -74.51 150.2 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.577 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.782 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -113.59 163.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -115.98 -7.94 11.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -60.59 -29.09 68.98 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -159.7 25.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.374 1.046 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.26 26.44 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 30.0 t -86.7 163.62 17.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.703 ' CB ' ' CE2' ' A' ' 10' ' ' TYR . 60.7 m-85 -115.03 117.97 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.942 HG22 ' O ' ' A' ' 21' ' ' MET . 14.7 t -101.03 -179.6 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.381 1.05 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -134.5 130.34 36.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 108.34 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.495 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 1.4 p-10 -121.96 97.08 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 1.088 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 64.5 m -84.89 -118.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 108.334 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -144.13 -169.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.456 ' C ' ' H ' ' A' ' 37' ' ' TYR . 2.1 pt -52.28 140.2 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . 53.21 10.08 1.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.614 1.196 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.68 ' CZ ' ' HG2' ' A' ' 45' ' ' ARG . 5.3 m-85 -125.59 119.25 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.982 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 t -167.04 -161.57 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 110.042 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 109.02 169.3 20.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER -37.66 -30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 0.802 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.532 ' CB ' ' O ' ' A' ' 13' ' ' TYR . 33.3 mtm-85 -132.3 -64.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 1.088 ' SG ' ' CB ' ' A' ' 33' ' ' CYS . 1.2 m 173.69 22.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 108.246 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' ARG . 20.9 tt0 -65.87 -30.1 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.361 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 5.4 m -66.21 62.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.68 ' HG2' ' CZ ' ' A' ' 37' ' ' TYR . 2.2 ttp-105 -72.45 133.86 45.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.238 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' GLY . 13.3 t0 -60.15 -145.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.409 1.068 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.435 HD12 ' OD1' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -131.1 39.97 3.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.319 1.012 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.08 53.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.564 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 1.6 t-105 -69.68 -9.78 55.67 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.0 -38.63 36.23 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.592 1.182 . . . . 0.0 108.017 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -95.34 141.11 29.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.274 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.68 -50.84 4.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.622 ' OXT' ' HG3' ' A' ' 53' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' GLU . 53.8 m-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.449 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 5.8 m -114.3 126.87 55.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.951 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' HIS . 47.9 t80 -133.22 140.1 36.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.613 1.196 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 3' ' ' TYR . 18.4 Cg_endo -74.93 118.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.525 1.802 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.7 150.92 11.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -172.4 100.41 0.36 Allowed Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.97 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.423 ' HA ' ' OD2' ' A' ' 11' ' ' ASP . 96.0 p -86.18 13.09 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -68.11 -48.34 65.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.889 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -98.34 -58.49 1.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.424 1.078 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.423 ' OD2' ' HA ' ' A' ' 8' ' ' SER . 10.9 m-20 59.25 78.31 0.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.36 40.82 0.42 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 29' ' ' TYR . 2.2 t80 -87.63 20.18 3.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.37 0.688 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -140.33 134.24 30.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.261 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 41' ' ' ARG . 2.7 mt -142.85 174.13 10.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.602 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 1.5 m120 41.42 54.2 3.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.85 77.49 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.925 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' CYS . . . -138.87 132.7 5.85 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.833 HG12 ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -89.75 169.86 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.4 t -80.89 138.46 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.237 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.732 ' O ' HG22 ' A' ' 30' ' ' THR . 2.4 mmm -160.96 113.99 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.501 ' ND1' ' CD2' ' A' ' 29' ' ' TYR . 65.9 t60 -92.35 132.78 36.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.623 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.717 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -82.91 154.48 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 1' ' ' ASN . 11.2 mt-10 -121.49 -7.61 9.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 0.0 110.384 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.546 ' O ' HD22 ' A' ' 26' ' ' LEU . 33.0 t -68.9 -38.63 79.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.634 1.209 . . . . 0.0 109.925 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -130.31 12.74 5.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.7 27.54 16.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 23' ' ' ILE . 7.5 t -95.7 170.35 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.075 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.598 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 89.1 m-85 -111.41 142.13 44.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 21' ' ' MET . 10.9 t -140.28 -162.78 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 19' ' ' VAL . 1.3 m -154.47 133.37 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.498 1.124 . . . . 0.0 108.399 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.833 ' CB ' HG12 ' A' ' 19' ' ' VAL . 15.8 t-20 -71.32 109.5 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 1.313 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 8.8 m -88.98 -153.67 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 37' ' ' TYR . 3.3 m -147.5 -177.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.677 HG22 ' CZ2' ' A' ' 50' ' ' TRP . 1.1 mt -45.86 158.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.39 1.056 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.519 ' CA ' ' HA ' ' A' ' 46' ' ' ASP . . . 37.73 33.42 0.14 Allowed Glycine 0 CA--C 1.528 0.872 0 O-C-N 124.428 1.08 . . . . 0.0 111.052 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.602 ' CE1' ' HB3' ' A' ' 16' ' ' ASN . 15.7 m-85 -161.71 103.42 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.385 0.697 . . . . 0.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 44' ' ' THR . 85.0 p -160.62 168.19 25.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.64 41.06 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 18.1 t70 60.96 117.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.237 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.497 ' HG2' HD12 ' A' ' 15' ' ' LEU . 32.9 ttp-105 73.37 1.88 4.12 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 1.313 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.8 m 65.2 87.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 108.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -118.76 -46.95 2.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 38' ' ' SER . 2.3 m -65.46 98.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.4 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.538 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 3.2 ttt-85 -78.07 126.95 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.519 ' HA ' ' CA ' ' A' ' 36' ' ' GLY . 4.4 t0 40.93 -153.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.7 mp 49.06 72.6 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 49' ' ' TRP . 1.2 mmt-85 169.13 81.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.618 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 59.78 140.25 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.677 ' CZ2' HG22 ' A' ' 35' ' ' ILE . 25.8 m95 -172.56 -97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.18 141.69 50.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.383 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 tt -135.87 134.99 39.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 . . . . . 0 C--N 1.323 -0.557 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -83.16 132.19 35.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 22' ' ' HIS . 61.6 t80 -131.44 132.93 23.85 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 115.06 4.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.401 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -177.33 156.87 21.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.401 ' SG ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 172.56 108.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.429 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 18.0 Cg_endo -75.02 175.72 10.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -50.57 -26.38 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.083 . . . . 0.0 109.944 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t -66.48 -26.71 67.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 65.3 m-85 -117.19 47.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -99.21 46.6 0.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.436 ' O ' ' NH1' ' A' ' 41' ' ' ARG . . . 171.9 38.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 40' ' ' ASP . 1.1 t80 -99.03 12.01 37.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.8 122.72 15.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -129.65 173.73 10.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.409 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 87.4 m-20 44.82 65.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.403 1.064 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.19 76.59 0.17 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 33' ' ' CYS . . . -136.27 145.96 17.91 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.544 HG12 ' CB ' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -96.28 166.01 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.453 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 4.2 t -98.85 137.05 37.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.474 ' HB3' ' CG2' ' A' ' 30' ' ' THR . 2.4 tpt -155.56 131.88 10.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.628 ' CD2' ' O ' ' A' ' 28' ' ' SER . 16.2 t-80 -103.76 136.66 43.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.631 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.717 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -91.84 160.76 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -118.61 -9.06 10.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 m -55.67 -30.86 61.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -157.2 24.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.94 25.25 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.628 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 7.4 t -84.32 162.68 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 10' ' ' TYR . 83.1 m-85 -112.24 139.12 48.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.717 ' HB ' HD11 ' A' ' 23' ' ' ILE . 10.0 t -129.11 -172.48 2.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 1.2 m -161.16 134.33 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 108.348 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.544 ' CB ' HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -96.8 96.22 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 1.127 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 2.5 t -60.3 -121.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 108.339 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.811 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -147.35 -155.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.811 ' N ' HG13 ' A' ' 34' ' ' VAL . 67.4 mt -49.01 148.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 45' ' ' ARG . . . 32.38 39.11 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.08 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.573 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.0 m-85 -157.82 125.58 5.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.536 0.786 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 37' ' ' TYR . 4.8 m -169.63 -160.44 0.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.6 -165.06 12.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 30.6 m-20 -63.04 -13.49 36.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.54 ' HA ' ' O ' ' A' ' 13' ' ' TYR . 56.8 mtp85 -142.06 -87.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 1.127 ' SG ' ' CB ' ' A' ' 33' ' ' CYS . 39.9 t 176.88 33.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 0.0 108.258 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -106.0 2.05 27.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.8 m -112.76 127.06 56.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.604 1.19 . . . . 0.0 110.372 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 21.3 mtp180 -87.41 105.31 17.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -71.64 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' N ' ' HA2' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -84.27 -162.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.4 ttm105 -179.8 59.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -55.98 -39.59 72.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 107.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.94 109.91 14.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.493 ' H ' HD13 ' A' ' 52' ' ' LEU . 2.4 mm-40 -137.74 9.99 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.594 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -129.27 168.91 15.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.373 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.674 ' OXT' ' HG3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' ILE . 12.9 m120 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -120.34 122.27 40.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 22' ' ' HIS . 45.7 t80 -129.04 137.82 31.84 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.569 1.168 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.3 Cg_endo -75.0 107.1 2.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -167.21 154.22 24.36 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.41 1.069 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -178.44 100.82 0.21 Allowed Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.1 Cg_endo -75.1 -176.33 2.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -87.3 14.29 8.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 109.939 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 m -74.99 -41.84 58.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 29' ' ' TYR . 92.4 m-85 -84.38 -67.82 0.77 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.7 75.6 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.97 37.43 0.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE2' ' O ' ' A' ' 29' ' ' TYR . 2.6 t80 -103.15 -6.26 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.595 ' C ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -132.02 111.09 11.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 1.054 . . . . 0.0 108.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -124.56 173.53 8.42 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 m120 52.74 67.59 0.96 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 49.42 32.58 15.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 32' ' ' ASN . . . -84.69 160.33 35.62 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 20' ' ' CYS . 45.2 t -114.38 170.77 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.65 0.853 . . . . 0.0 109.202 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.568 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -112.65 138.67 49.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' THR . 3.4 mmt -154.01 156.97 38.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.562 ' CE1' ' HA ' ' A' ' 27' ' ' ASP . 3.5 t-160 -111.01 157.75 19.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.699 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.699 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -110.17 -19.06 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' C ' ' H ' ' A' ' 26' ' ' LEU . 5.5 tt0 52.78 170.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 77.18 -25.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.094 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 24' ' ' GLU . 2.3 mt -143.2 15.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HA ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER 49.05 22.3 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.515 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -81.2 115.75 20.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.976 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 64.6 m-85 -98.29 127.52 44.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.699 ' HB ' HD11 ' A' ' 23' ' ' ILE . 5.3 t -105.21 -170.68 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.54 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.496 ' N ' ' OG1' ' A' ' 30' ' ' THR . 1.0 OUTLIER -160.78 131.25 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.639 1.212 . . . . 0.0 108.308 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.504 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 29.6 t-20 -78.88 156.87 28.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 1.285 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER -119.94 -150.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 108.311 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.638 HG22 ' H ' ' A' ' 35' ' ' ILE . 1.2 p -157.72 -162.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.363 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.88 HD13 ' CZ3' ' A' ' 49' ' ' TRP . 28.2 mt -72.82 128.7 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.644 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 89.94 7.76 67.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.391 1.057 . . . . 0.0 111.04 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 36' ' ' GLY . 45.0 m-85 -164.65 142.04 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.463 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 21.4 t -162.12 164.25 28.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.04 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.47 -179.13 17.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.1 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.11 -13.66 62.04 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.526 HH21 HD21 ' A' ' 15' ' ' LEU . 5.5 ttp180 -138.25 14.58 2.81 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 1.285 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 11.8 t 48.07 73.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.409 ' CD ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -125.49 -32.99 2.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.8 m -69.58 105.15 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.644 ' HG3' ' CE2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -74.56 129.11 37.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.233 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.857 ' O ' HD23 ' A' ' 47' ' ' LEU . 1.8 t70 -66.13 -144.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.857 HD23 ' O ' ' A' ' 46' ' ' ASP . 21.6 mt -150.56 -44.72 0.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.388 1.055 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -172.05 68.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.88 ' CZ3' HD13 ' A' ' 35' ' ' ILE . 0.4 OUTLIER -77.61 -9.1 58.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 107.98 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.595 ' CH2' ' HB ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -89.91 10.07 25.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 107.992 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -132.48 -50.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.85 147.04 50.43 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.411 1.07 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -111.67 120.28 41.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.56 ' CD1' ' HD2' ' A' ' 4' ' ' PRO . 64.3 t80 -120.93 140.72 31.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 3' ' ' TYR . 18.1 Cg_endo -75.07 109.08 2.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 6' ' ' CYS . . . 178.18 157.86 19.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.543 ' HA ' ' CE1' ' A' ' 29' ' ' TYR . 7.4 p 168.72 119.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 17.9 Cg_endo -75.11 -175.88 2.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.528 1.804 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.0 t -86.34 13.6 7.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.908 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -71.81 -36.18 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.091 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.792 ' CG ' ' CD2' ' A' ' 13' ' ' TYR . 65.6 m-85 -99.14 -8.93 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 62.59 55.78 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 88.44 -31.92 4.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.792 ' CD2' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 58.76 13.44 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.593 0.819 . . . . 0.0 111.082 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -136.61 120.5 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -119.53 176.45 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.171 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 68.9 m-80 65.32 -59.92 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.555 1.16 . . . . 0.0 109.389 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 166.39 76.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.43 156.24 23.95 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.488 ' HB ' ' OD1' ' A' ' 32' ' ' ASN . 2.1 t -91.45 158.81 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.586 0.815 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.475 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -90.58 141.79 28.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.32 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 tpt -156.07 128.46 7.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.687 ' HE1' ' O ' ' A' ' 27' ' ' ASP . 19.4 t60 -94.6 148.8 21.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.898 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -111.93 166.13 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 25' ' ' SER . 24.6 mt-10 -117.14 -178.25 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 110.219 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.8 t 88.44 -29.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.929 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.79 18.07 0.69 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.161 . . . . 0.0 109.387 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.687 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 5.8 m-20 48.86 38.32 11.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.432 ' O ' HG13 ' A' ' 23' ' ' ILE . 2.2 t -84.03 154.94 22.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 6' ' ' CYS . 72.8 m-85 -114.94 144.07 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.898 ' HB ' HD11 ' A' ' 23' ' ' ILE . 8.1 t -136.18 -176.48 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -155.72 123.58 5.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 108.386 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.488 ' OD1' ' HB ' ' A' ' 19' ' ' VAL . 14.6 p-10 -77.9 109.11 11.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.212 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 9.4 m -78.41 -145.37 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.533 1.145 . . . . 0.0 108.237 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' N ' ' A' ' 35' ' ' ILE . 1.8 m -144.65 -178.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.838 HG22 ' CE2' ' A' ' 50' ' ' TRP . 1.7 mm -69.65 102.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 116.82 8.38 12.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.399 1.062 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.674 ' CE2' ' HG3' ' A' ' 45' ' ' ARG . 31.2 m-85 -148.92 130.41 14.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 0.725 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.518 ' OG ' ' CD2' ' A' ' 47' ' ' LEU . 7.4 p -161.56 164.26 29.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 135.98 48.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' GLY . 4.9 p-10 37.96 38.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 0.734 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.472 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 10.1 ttp180 177.08 -27.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.64 1.212 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' SG ' ' C ' ' A' ' 41' ' ' ARG . 1.6 m 81.76 79.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.465 ' OE1' ' NE ' ' A' ' 41' ' ' ARG . 4.9 mt-30 -134.49 -37.7 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 m -79.39 118.15 21.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.674 ' HG3' ' CE2' ' A' ' 37' ' ' TYR . 2.5 ttm180 -97.21 67.63 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.346 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.688 ' O ' ' C ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -130.38 -68.51 0.69 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.688 ' C ' ' O ' ' A' ' 46' ' ' ASP . 4.1 mm? -10.85 116.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.551 ' HA ' ' CZ2' ' A' ' 50' ' ' TRP . 23.9 ttp180 -160.57 62.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.164 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.571 ' CZ3' HD12 ' A' ' 47' ' ' LEU . 3.5 p90 -74.61 -2.56 26.56 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.569 1.168 . . . . 0.0 107.946 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.838 ' CE2' HG22 ' A' ' 35' ' ' ILE . 8.1 p90 -94.89 94.18 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' OE1' ' NE ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -167.87 -50.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.427 1.079 . . . . 0.0 110.326 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.02 -55.25 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.6 mtm-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.283 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.518 ' ND2' ' HB2' ' A' ' 24' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -71.66 122.52 20.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.0 t80 -125.71 135.16 26.62 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.368 1.043 . . . . 0.0 110.978 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.97 4.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -170.04 152.57 19.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -174.8 94.74 0.29 Allowed Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 18.0 Cg_endo -74.96 -178.29 4.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -53.78 -24.41 15.19 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.26 4.18 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.405 1.065 . . . . 0.0 110.022 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.709 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 60.8 m-85 -143.33 77.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.5 1.125 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.29 56.17 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.382 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.424 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 99.84 -31.76 8.03 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.528 1.143 . . . . 0.0 111.083 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' CD2' ' A' ' 10' ' ' TYR . 5.4 t80 47.15 20.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.494 0.761 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 36.0 m -132.01 145.9 51.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.932 HD13 ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -145.55 162.95 36.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.58 1.175 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.624 ' OD1' HD23 ' A' ' 15' ' ' LEU . 2.9 m120 76.78 -53.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.37 80.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.78 149.53 21.16 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.7 t -90.94 151.66 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 1.8 t -80.18 135.86 36.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 108.412 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.533 ' O ' HG22 ' A' ' 30' ' ' THR . 1.1 tpt -155.42 123.45 5.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 3' ' ' TYR . 31.7 t60 -89.66 154.08 20.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.832 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -116.85 168.87 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 25' ' ' SER . 8.5 mt-10 -122.08 -178.32 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.9 t 88.7 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.46 17.48 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.201 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 62.8 m-20 50.84 38.25 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.611 ' OG ' HD12 ' A' ' 23' ' ' ILE . 2.6 t -85.43 156.45 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.936 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.709 ' CD1' ' CZ ' ' A' ' 10' ' ' TYR . 63.5 m-85 -117.09 146.84 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.832 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.9 t -139.65 -168.95 2.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.2 m -154.53 134.13 12.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 108.228 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' VAL . 5.0 m-20 -70.08 105.69 2.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.138 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 3.4 m -90.98 -162.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 108.235 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.443 HG22 ' HB2' ' A' ' 37' ' ' TYR . 3.9 m -147.77 -175.04 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.712 HD13 ' CH2' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -42.81 132.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.531 ' CA ' ' HA ' ' A' ' 46' ' ' ASP . . . 66.55 -35.12 0.17 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.609 1.193 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.627 ' H ' ' C ' ' A' ' 35' ' ' ILE . 38.8 m-85 -77.89 117.74 19.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.411 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 60.4 p -152.61 -160.13 1.1 Allowed 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 42' ' ' CYS . . . 74.5 132.99 0.27 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 7.7 p-10 -33.56 117.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.618 0.834 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.688 ' O ' HD22 ' A' ' 15' ' ' LEU . 9.7 mtp85 85.85 16.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.578 ' N ' ' O ' ' A' ' 39' ' ' GLY . 3.6 m 41.18 60.08 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 108.367 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.01 -33.11 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.1 m -69.49 89.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.583 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 5.5 ttm105 -64.23 146.6 54.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.618 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -36.13 -62.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.623 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER 76.23 25.61 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.623 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 47.9 ttt180 94.04 50.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.734 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -81.43 1.79 31.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 108.027 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.657 ' CH2' HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.41 87.15 2.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.54 1.15 . . . . 0.0 108.047 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.11 -55.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -114.32 -56.02 2.43 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.0 ttp85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.251 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.466 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 18.3 m -155.03 158.18 38.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.601 ' CZ ' ' OE2' ' A' ' 24' ' ' GLU . 30.5 m-85 -143.33 140.47 17.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 83.68 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.407 1.741 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' SG ' ' A' ' 20' ' ' CYS . . . -142.43 163.17 27.21 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.05 111.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.606 ' O ' ' CB ' ' A' ' 8' ' ' SER . 18.5 Cg_endo -75.04 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.453 1.765 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.606 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 3.6 p 95.05 -6.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.964 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -76.65 -0.73 24.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' OH ' ' CD1' ' A' ' 29' ' ' TYR . 47.3 m-85 -85.38 -89.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER 157.33 89.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 14' ' ' CYS . . . 39.42 52.51 2.91 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.423 1.077 . . . . 0.0 111.039 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -43.87 -21.93 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 0.715 . . . . 0.0 111.012 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -130.02 109.83 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.579 1.175 . . . . 0.0 108.312 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -125.44 165.33 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.235 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER 82.11 -54.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.52 78.56 0.03 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 32' ' ' ASN . . . -151.25 149.24 20.99 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.587 HG12 ' HB2' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -85.59 168.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.564 0.803 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 10.6 t -100.4 127.2 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 108.288 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.85 ' O ' HG22 ' A' ' 30' ' ' THR . 4.0 mmt -138.28 117.19 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.668 ' CE1' ' CE1' ' A' ' 29' ' ' TYR . 11.9 t60 -85.79 137.6 32.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.794 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -97.11 157.38 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.366 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.601 ' OE2' ' CZ ' ' A' ' 3' ' ' TYR . 2.0 mt-10 -119.01 -5.67 10.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.387 1.054 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 t -57.58 -27.19 62.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -161.86 26.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.458 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 0.4 OUTLIER 63.69 25.28 14.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 23' ' ' ILE . 3.5 t -87.06 165.73 15.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.023 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.668 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 5.9 m-85 -118.32 147.95 42.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 21' ' ' MET . 15.3 t -138.22 -175.0 3.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -153.95 127.85 8.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 108.266 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.587 ' HB2' HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -77.17 94.45 4.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.383 1.052 . . . . 0.0 109.332 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 1.154 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 2.3 t -61.13 -147.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -151.0 -162.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.213 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.682 ' N ' HG13 ' A' ' 34' ' ' VAL . 1.1 mm -77.09 128.2 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.461 1.1 . . . . 0.0 109.222 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.616 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 90.68 3.7 70.9 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.562 1.164 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 36' ' ' GLY . 64.5 m-85 -157.29 143.89 18.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.033 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 5.0 m -160.19 -178.05 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.951 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 41' ' ' ARG . . . 108.48 177.31 21.89 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.611 ' OD2' ' CE1' ' A' ' 13' ' ' TYR . 27.2 t70 -45.16 -25.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.542 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 4.0 mtt180 -128.4 -82.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 1.154 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER 172.15 26.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 108.304 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -76.03 -27.54 57.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 6.3 m -75.18 91.78 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 0.0 110.427 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.614 ' CG ' ' CE2' ' A' ' 37' ' ' TYR . 2.2 mtm-85 -77.86 121.89 24.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.584 ' C ' HD22 ' A' ' 47' ' ' LEU . 1.4 t70 -64.19 -145.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.584 HD22 ' C ' ' A' ' 46' ' ' ASP . 4.1 mm? -121.82 -51.06 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 174.16 74.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.408 1.067 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.483 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 44.2 t-105 -88.44 47.22 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 108.057 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.452 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -126.14 20.13 7.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 107.956 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.27 145.29 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.221 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.62 153.4 48.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 110.32 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -74.69 130.58 39.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.439 1.087 . . . . 0.0 109.897 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' HIS . 63.4 t80 -125.38 132.52 24.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.2 Cg_endo -74.98 108.42 2.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.574 1.828 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.24 150.64 22.71 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 10' ' ' TYR . 1.7 t -177.07 82.99 0.25 Allowed Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.489 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -75.02 176.51 9.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.401 1.737 . . . . 0.0 111.058 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.0 t -56.14 -21.32 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.2 t -81.87 6.57 15.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.97 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.727 ' CZ ' ' CG ' ' A' ' 29' ' ' TYR . 24.1 m-85 -138.57 68.53 1.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -113.77 55.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.376 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.51 42.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.479 ' C ' ' CG ' ' A' ' 41' ' ' ARG . 7.3 t80 -102.66 12.1 36.8 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.517 0.775 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 1.6 m -133.25 121.69 22.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 108.305 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.63 HD11 ' HD2' ' A' ' 41' ' ' ARG . 13.5 mt -111.76 -175.94 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.0 m120 48.16 23.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 15' ' ' LEU . . . 68.21 70.22 1.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.4 163.73 14.77 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 20' ' ' CYS . 4.1 t -88.23 168.35 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.397 0.704 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.438 ' H ' HG12 ' A' ' 19' ' ' VAL . 2.0 t -96.4 136.49 36.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.427 ' HB3' ' CG2' ' A' ' 30' ' ' THR . 0.0 OUTLIER -154.08 135.9 14.51 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.538 1.148 . . . . 0.0 111.008 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.62 ' CE1' ' CE1' ' A' ' 29' ' ' TYR . 19.4 t60 -102.74 148.44 25.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.621 1.201 . . . . 0.0 109.547 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.631 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -109.37 155.47 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -116.01 -18.39 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.5 t -54.59 -20.26 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.178 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 1.3 mt -164.04 31.98 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 3.1 p-10 46.1 28.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.428 ' O ' HG13 ' A' ' 23' ' ' ILE . 3.6 t -89.21 169.02 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.727 ' CG ' ' CZ ' ' A' ' 10' ' ' TYR . 11.8 m-85 -116.31 144.06 44.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.631 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.7 t -133.73 -170.15 2.44 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.461 1.1 . . . . 0.0 110.466 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -157.77 132.96 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -72.01 90.7 1.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 4.7 m -75.12 -135.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 108.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.1 -176.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.438 ' H ' HG23 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -54.14 151.8 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.288 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . 47.87 22.51 2.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.624 1.203 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.693 ' CZ ' ' HG3' ' A' ' 45' ' ' ARG . 10.3 m-85 -147.36 114.05 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 0.717 . . . . 0.0 110.987 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 p -164.78 -154.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.581 1.176 . . . . 0.0 109.958 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.52 -73.62 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 22.0 t70 -177.74 108.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.63 ' HD2' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER 78.43 13.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.174 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 3.5 m 68.32 69.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 108.305 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.447 ' HA ' ' OE1' ' A' ' 43' ' ' GLN . 3.6 tp-100 -119.58 -44.56 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 110.326 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.3 m -65.72 72.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.693 ' HG3' ' CZ ' ' A' ' 37' ' ' TYR . 41.9 ttp-105 -74.32 99.45 3.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' GLY . 1.9 m-20 -71.2 -143.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -92.61 -29.23 16.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.612 ' CG ' ' CZ2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 75.78 68.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.493 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 1.3 p90 -41.53 137.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.176 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.612 ' CZ2' ' CG ' ' A' ' 48' ' ' ARG . 10.6 m0 -148.92 -173.89 4.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.61 149.39 47.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -142.53 158.18 43.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.517 ' N ' HD22 ' A' ' 52' ' ' LEU . 3.2 tmm_? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.402 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -86.46 121.49 29.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' HIS . 61.8 t80 -126.3 135.49 27.25 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 122.18 7.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.532 ' O ' ' CB ' ' A' ' 6' ' ' CYS . . . 165.57 157.84 10.23 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.497 1.123 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.548 ' HA ' ' CE1' ' A' ' 29' ' ' TYR . 1.8 p 157.43 89.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.504 ' C ' ' N ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.94 172.58 16.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.066 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 10' ' ' TYR . 8.5 t 47.39 15.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.123 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.504 ' N ' ' C ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 46.86 22.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.949 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 29' ' ' TYR . 1.7 m-85 31.39 38.36 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.554 1.159 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' SER . 22.4 t70 61.98 74.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.18 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.44 40.03 1.86 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CD1' ' HB3' ' A' ' 10' ' ' TYR . 8.4 t80 -44.36 -24.54 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.496 0.762 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -124.49 143.18 50.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 108.297 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -162.33 173.25 14.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.563 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 80.2 m-20 52.53 66.4 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.24 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.45 34.36 59.7 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 32' ' ' ASN . . . -102.22 122.83 7.67 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 15.6 t -82.81 161.15 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.6 0.824 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 1.7 t -98.65 133.99 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.604 ' O ' HG22 ' A' ' 30' ' ' THR . 73.3 mmm -154.26 117.78 4.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 57.9 t60 -88.66 131.4 35.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.626 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -80.55 159.2 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 1' ' ' ASN . 39.7 mt-10 -119.26 -35.95 3.48 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.575 1.172 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.505 ' O ' HD22 ' A' ' 26' ' ' LEU . 70.1 m -55.94 -36.92 68.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.557 1.161 . . . . 0.0 109.871 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.505 HD22 ' O ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -120.73 15.45 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.437 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER 44.18 24.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.356 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.562 ' O ' ' N ' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -97.45 174.04 6.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.019 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 10' ' ' TYR . 41.5 m-85 -111.67 142.14 44.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.661 HG23 ' N ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -131.3 -171.65 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.441 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.661 ' N ' HG23 ' A' ' 30' ' ' THR . 1.5 m -162.56 118.89 1.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 108.245 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.458 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 52.0 t30 -74.51 93.46 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.61 1.194 . . . . 0.0 109.351 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 42' ' ' CYS . 7.7 m -67.01 -147.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.288 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.822 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -151.28 -162.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.822 ' N ' HG13 ' A' ' 34' ' ' VAL . 1.3 mm -57.76 154.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.484 ' HA2' ' CB ' ' A' ' 46' ' ' ASP . . . 37.66 29.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 16' ' ' ASN . 6.4 m-85 -151.47 116.56 5.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 0.76 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.1 p -161.27 -168.79 2.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 103.84 44.75 1.6 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.385 1.053 . . . . 0.0 110.905 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 39' ' ' GLY . 22.7 m-20 38.09 48.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 16.6 ttm105 174.6 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 1.8 m 83.7 20.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -83.88 -22.14 31.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.596 1.185 . . . . 0.0 110.239 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -92.82 126.34 37.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 27.9 mtm180 -95.21 101.7 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' CB ' ' HA2' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -64.26 -38.24 90.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' A' ' 50' ' ' TRP . 0.1 OUTLIER 38.28 81.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -164.49 31.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.581 ' CB ' ' CG2' ' A' ' 35' ' ' ILE . 9.0 t90 -129.76 8.89 5.36 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.482 1.114 . . . . 0.0 108.105 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.575 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -139.76 -50.31 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.126 . . . . 0.0 108.075 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.87 142.11 28.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.32 64.68 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.207 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.394 1.059 . . . . 0.0 110.383 179.898 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.491 ' OD1' ' CB ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -75.19 128.96 36.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.5 t80 -126.55 139.3 34.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.044 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.0 Cg_endo -75.11 113.96 3.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.428 1.751 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -170.63 151.93 17.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -174.78 95.94 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.0 -176.82 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -86.62 11.15 13.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.403 1.065 . . . . 0.0 110.082 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 t -67.84 -50.3 57.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.949 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.593 ' OH ' ' CD2' ' A' ' 29' ' ' TYR . 8.6 m-85 -88.59 -62.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 t70 53.67 72.66 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.33 40.37 0.15 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.61 ' CE2' ' OD2' ' A' ' 40' ' ' ASP . 2.0 t80 -100.46 2.26 41.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -138.66 114.0 9.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 108.322 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.582 HD12 ' CB ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -110.68 -179.17 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.552 ' CG ' ' CD2' ' A' ' 37' ' ' TYR . 34.7 m120 43.96 61.74 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.34 41.53 12.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.8 142.2 17.6 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.591 HG12 ' HB2' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -80.2 170.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.41 0.712 . . . . 0.0 109.208 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.537 ' N ' HG13 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -113.67 138.51 50.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 108.319 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.48 ' O ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -154.87 132.29 11.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.571 1.17 . . . . 0.0 110.971 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' TYR . 25.7 t60 -95.52 152.1 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.659 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.942 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -114.94 169.03 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.403 1.065 . . . . 0.0 109.352 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.4 mm-40 -122.55 -177.46 3.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.7 t 88.28 -29.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.1 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.3 17.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.45 ' O ' ' HE1' ' A' ' 22' ' ' HIS . 2.7 m-20 50.86 38.4 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.066 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' ILE . 2.5 t -85.51 154.99 21.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.19 . . . . 0.0 109.959 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.593 ' CD2' ' OH ' ' A' ' 10' ' ' TYR . 19.4 m-85 -116.9 149.88 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.942 ' HB ' HD11 ' A' ' 23' ' ' ILE . 9.3 t -139.6 -173.03 3.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 1.7 m -158.54 143.83 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.198 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.591 ' HB2' HG12 ' A' ' 19' ' ' VAL . 88.9 m-20 -94.57 148.96 21.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.373 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -119.38 -159.43 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 108.315 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' A' ' 37' ' ' TYR . 1.2 m -149.42 159.87 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -34.47 138.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.622 ' CA ' ' HA ' ' A' ' 46' ' ' ASP . . . 86.45 -33.77 3.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.618 1.199 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.638 ' HA ' ' O ' ' A' ' 44' ' ' THR . 57.5 m-85 -122.95 142.06 51.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 0.771 . . . . 0.0 111.049 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.551 ' HG ' ' HH2' ' A' ' 50' ' ' TRP . 59.8 p -158.96 -178.54 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.933 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 114.38 159.11 12.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.61 ' OD2' ' CE2' ' A' ' 13' ' ' TYR . 35.2 t70 -36.35 -32.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.582 ' CB ' HD12 ' A' ' 15' ' ' LEU . 25.7 mtm-85 -122.67 -48.74 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 41' ' ' ARG . 1.2 m 153.43 38.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 108.333 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.53 ' CG ' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -53.2 -55.32 25.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.638 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.2 m -56.63 139.3 50.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 36' ' ' GLY . 39.2 mtt180 -120.56 147.38 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.622 ' HA ' ' CA ' ' A' ' 36' ' ' GLY . 0.4 OUTLIER -32.99 -34.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.202 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 45' ' ' ARG . 4.4 mm? -65.96 60.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 46' ' ' ASP . 10.8 mtt-85 164.75 82.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.167 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.577 ' C ' ' CD1' ' A' ' 50' ' ' TRP . 2.5 t90 -55.21 -168.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.704 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -158.49 -67.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -155.06 -97.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.925 HD22 ' N ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -154.75 167.56 29.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.925 ' N ' HD22 ' A' ' 52' ' ' LEU . 3.2 tpt85 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 4.4 m120 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -114.47 138.72 50.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' HIS . 4.1 t80 -146.43 132.46 9.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.58 3.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.83 151.61 19.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.9 t -178.07 89.11 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.596 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.0 Cg_endo -75.04 179.04 6.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 m -92.0 17.72 8.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.428 1.08 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.5 m -78.1 -19.05 54.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.525 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 46.3 m-85 -92.26 -98.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER 153.89 88.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.376 1.048 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' CYS . . . 42.93 46.9 6.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.375 1.047 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.9 t80 -34.48 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 111.022 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m -103.89 122.37 45.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 108.257 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -127.21 166.5 17.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.395 1.06 . . . . 0.0 109.352 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.467 ' OD1' ' CB ' ' A' ' 42' ' ' CYS . 5.0 m120 80.33 -50.93 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.6 80.13 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.409 1.068 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.448 ' CA ' ' O ' ' A' ' 32' ' ' ASN . . . -151.94 156.74 26.86 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.06 165.02 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.474 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 2.0 t -113.39 136.42 52.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 108.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.694 ' HG3' HG23 ' A' ' 30' ' ' THR . 2.1 ppp? -145.54 138.54 26.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.763 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 9.6 t-160 -90.03 146.84 24.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.122 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.058 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -110.22 155.1 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' CB ' ' HB2' ' A' ' 1' ' ' ASN . 11.9 mt-10 -112.05 -6.16 14.21 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.8 t -58.68 -29.04 66.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 110.049 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -158.08 24.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.02 29.81 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' HG13 ' A' ' 23' ' ' ILE . 23.3 t -99.03 159.54 14.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.602 1.189 . . . . 0.0 109.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.763 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 51.1 m-85 -110.33 134.58 52.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.598 1.186 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 1.058 ' HB ' HD11 ' A' ' 23' ' ' ILE . 5.1 t -122.94 -174.03 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.618 ' CB ' ' HA ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -150.29 156.1 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 108.326 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.448 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 35.7 p-10 -126.43 134.33 51.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.619 1.199 . . . . 0.0 109.267 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -111.32 -144.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 108.265 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 37' ' ' TYR . 14.4 m -143.5 178.58 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' VAL . 3.9 mt -37.98 132.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.671 ' O ' ' HA ' ' A' ' 45' ' ' ARG . . . 80.76 8.3 87.64 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 91.3 m-85 -166.1 134.75 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 111.006 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.522 ' OG ' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER 179.88 -164.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.522 ' N ' ' OG ' ' A' ' 38' ' ' SER . . . 104.14 -132.97 11.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.413 1.071 . . . . 0.0 111.046 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.432 ' OD1' ' CE2' ' A' ' 13' ' ' TYR . 10.4 t70 -73.15 -14.62 61.4 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 0.735 . . . . 0.0 109.225 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.618 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -166.43 -87.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.467 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 89.8 m -148.89 18.21 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.573 1.171 . . . . 0.0 108.257 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' ARG . 27.2 tt0 -66.55 -48.7 68.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.39 1.056 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 30.1 m -66.21 69.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.484 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.671 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 16.0 ptm180 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.386 1.054 . . . . 0.0 110.316 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.7 m120 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.594 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 67.5 m -162.96 144.29 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.891 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.598 ' CE1' ' HB2' ' A' ' 24' ' ' GLU . 3.2 m-85 -143.36 133.91 12.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.81 0.96 Allowed 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 20' ' ' CYS . . . -150.12 144.26 11.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.6 94.94 0.57 Allowed Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.18 3.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.563 1.822 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.4 p -53.99 -20.35 6.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.955 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -46.89 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' CD1' ' HE1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -104.27 -58.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.076 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 t70 58.1 80.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' CYS . . . 107.32 40.27 1.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.408 1.068 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -41.33 -26.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.065 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.156 ' SG ' ' CB ' ' A' ' 31' ' ' CYS . 48.4 m -110.22 156.8 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.32 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.607 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -144.95 138.37 26.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.607 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER 21.81 56.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 42' ' ' CYS . . . -158.97 -89.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . -114.71 -157.41 11.73 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.503 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 15.0 t -116.37 154.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.406 0.709 . . . . 0.0 109.285 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 8.9 t -71.24 137.68 48.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.59 1.181 . . . . 0.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.779 ' O ' HG22 ' A' ' 30' ' ' THR . 1.2 mtp -146.66 114.98 6.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.613 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 19.0 t-80 -92.03 134.15 35.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.601 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.766 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -89.07 162.95 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.598 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 5.1 mm-40 -124.0 -3.53 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.0 p -63.52 -27.92 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.083 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.49 22.74 0.47 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.552 1.158 . . . . 0.0 109.392 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.63 29.06 18.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 29.4 t -92.73 160.93 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.019 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.613 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 31.8 m-85 -110.69 138.45 47.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 111.055 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 21' ' ' MET . 15.1 t -129.84 -166.52 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 1.156 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -160.58 123.76 3.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 108.285 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 19' ' ' VAL . 12.4 p30 -85.97 86.05 7.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.414 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.95 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.4 OUTLIER -64.45 -160.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.326 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -141.07 -170.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.36 150.48 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 45' ' ' ARG . . . 45.45 24.42 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.608 ' CE1' ' HG3' ' A' ' 45' ' ' ARG . 12.0 m-85 -149.92 118.7 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -163.99 -177.15 4.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 109.69 57.33 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.426 1.078 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 7.4 t70 70.31 -59.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.339 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.529 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 7.3 mtm180 -100.2 -71.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.95 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 1.1 m 157.36 42.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 108.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.521 ' CG ' HH11 ' A' ' 41' ' ' ARG . 2.1 mt-30 -89.6 -31.6 17.5 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -81.58 97.39 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.608 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 2.1 ttp85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.353 1.033 . . . . 0.0 110.306 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -104.39 133.61 49.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' HIS . 51.2 t80 -130.06 136.06 28.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.377 1.048 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.1 Cg_endo -75.12 113.37 3.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.85 155.97 23.97 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.402 1.064 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 3.1 t -179.7 101.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.1 Cg_endo -75.02 -176.17 2.74 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.3 p -88.9 17.01 6.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.4 t -80.66 -42.8 21.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.075 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.786 ' CG ' ' CD2' ' A' ' 13' ' ' TYR . 2.4 m-85 -100.67 13.96 33.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 43.98 52.84 6.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 88.63 -27.59 7.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.148 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.786 ' CD2' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 60.38 11.16 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 110.961 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 2.6 m -133.06 124.39 27.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.365 1.041 . . . . 0.0 108.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -122.15 176.65 5.72 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.524 1.14 . . . . 0.0 109.393 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 3.3 m-20 70.02 -55.83 0.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.398 1.061 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 156.32 81.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.391 1.057 . . . . 0.0 111.027 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.09 29.49 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 t -93.05 164.92 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.444 0.732 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 t -107.69 144.9 34.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.571 ' O ' HG22 ' A' ' 30' ' ' THR . 9.6 mtp -151.01 133.91 15.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.63 ' NE2' ' CE1' ' A' ' 29' ' ' TYR . 2.8 t-160 -84.43 153.95 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.564 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.886 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -109.58 -19.47 6.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 23' ' ' ILE . 8.1 pt-20 46.75 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER 83.6 -33.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.75 12.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.86 37.52 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.61 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.0 t -94.89 143.32 26.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 110.04 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.63 ' CE1' ' NE2' ' A' ' 22' ' ' HIS . 26.0 m-85 -121.41 142.41 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.886 ' HB ' HD11 ' A' ' 23' ' ' ILE . 5.5 t -130.63 -177.27 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -156.01 147.1 22.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 108.243 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 19' ' ' VAL . 11.2 p-10 -119.01 118.53 31.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 1.051 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 6.8 t -84.03 -106.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 108.339 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.406 ' H ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -151.6 -169.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.5 mt -51.17 137.92 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.458 ' O ' ' CD1' ' A' ' 37' ' ' TYR . . . 47.89 32.9 9.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.591 1.182 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.641 ' CZ ' ' HB3' ' A' ' 45' ' ' ARG . 5.4 m-85 -149.19 121.45 8.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 0.759 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 t -177.65 -140.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 99.64 41.86 2.83 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 9.3 t70 87.92 -35.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 0.793 . . . . 0.0 109.342 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 42' ' ' CYS . 55.1 mtt85 -128.26 -85.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 1.051 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 45.0 t 176.86 35.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -97.74 -22.55 16.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 m -96.28 102.85 14.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.354 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.641 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 24' ' ' GLU . 13.4 m120 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -113.85 136.82 52.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' HIS . 71.7 t80 -143.72 126.37 8.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 102.18 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.595 1.84 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.2 157.03 26.99 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.418 1.074 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 177.9 97.61 0.14 Allowed Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.447 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -75.04 173.46 14.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.597 1.841 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -51.91 -27.24 12.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t -66.8 -18.06 65.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.057 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 29' ' ' TYR . 74.5 m-85 -123.08 51.74 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.04 47.56 0.87 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.94 37.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CZ ' ' O ' ' A' ' 29' ' ' TYR . 6.6 t80 -99.48 -14.07 19.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.468 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -106.92 160.4 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.599 HD23 ' CB ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -99.92 -161.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.381 1.051 . . . . 0.0 109.367 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -60.07 -13.75 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.225 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -144.63 74.41 0.31 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . -164.95 133.03 2.84 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.2 t -98.65 131.99 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 0.813 . . . . 0.0 109.234 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -69.43 127.75 34.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 108.328 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.479 ' CG ' HG22 ' A' ' 30' ' ' THR . 13.1 ptm -143.32 168.04 20.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.642 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.7 t-80 -126.81 136.31 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.543 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.804 ' N ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -103.87 119.46 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 1' ' ' ASN . 1.2 mm-40 -79.79 -17.25 53.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.7 p -57.8 -24.44 57.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mt -155.03 21.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 46.62 39.97 7.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.642 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 32.9 t -99.24 164.35 12.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 10' ' ' TYR . 14.1 m-85 -119.37 116.61 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.598 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.4 t -122.27 -165.17 1.24 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.541 1.151 . . . . 0.0 110.455 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.5 m -146.06 118.4 8.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 108.348 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.6 OUTLIER -63.06 100.54 0.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 1.072 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -76.27 -159.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 108.349 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.459 HG23 ' HB2' ' A' ' 37' ' ' TYR . 6.0 m -141.15 -169.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.651 1.22 . . . . 0.0 109.288 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' TYR . 1.3 mt -57.71 154.64 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.321 1.013 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 36.98 29.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 7.4 m-85 -151.68 118.81 5.89 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.479 0.752 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -160.54 -175.39 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.941 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 106.71 63.55 0.6 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 0.9 OUTLIER 67.89 -66.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.599 ' CB ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -96.99 -71.77 0.67 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 1.072 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER 156.94 46.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.09 . . . . 0.0 108.313 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.4 pt20 -92.04 -19.97 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.8 m -95.2 113.01 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.573 ' HG2' ' CE1' ' A' ' 37' ' ' TYR . 3.4 mtm-85 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 22' ' ' HIS . 33.5 m -75.21 137.08 41.01 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.529 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 67.9 t80 -142.5 138.45 16.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.811 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.7 160.66 31.24 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.0 96.88 0.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.586 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.02 -177.94 3.82 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.595 1.84 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -60.92 -17.58 51.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.1 t -41.68 -54.85 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.624 ' CD2' ' CD1' ' A' ' 13' ' ' TYR . 16.7 m-85 -97.52 -56.78 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 60.87 79.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.04 35.03 5.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.624 ' CD1' ' CD2' ' A' ' 10' ' ' TYR . 3.6 t80 -48.06 -23.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.736 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -129.43 130.44 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 108.322 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -133.69 141.76 47.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.629 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER 32.94 63.39 0.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.406 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.498 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -167.87 -79.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . -140.4 -141.79 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 20' ' ' CYS . 24.1 t -128.36 170.92 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 0.767 . . . . 0.0 109.393 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.537 ' N ' HG12 ' A' ' 19' ' ' VAL . 35.9 t -89.45 148.27 23.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.411 1.07 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.607 ' HB2' HG23 ' A' ' 30' ' ' THR . 1.2 mtp -138.63 163.72 31.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.567 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 2.6 t-160 -122.64 136.12 54.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.652 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -87.35 -32.56 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 3' ' ' TYR . 0.3 OUTLIER 68.08 -57.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.358 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 29.9 t -53.88 -18.48 3.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.117 . . . . 0.0 109.949 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -132.09 15.52 4.67 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 43.65 29.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 109.258 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.523 ' O ' HG13 ' A' ' 23' ' ' ILE . 21.5 t -107.15 151.62 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.618 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 84.8 m-85 -110.83 101.28 9.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.607 HG23 ' HB2' ' A' ' 21' ' ' MET . 12.9 t -76.98 -166.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -155.59 109.56 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.321 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.474 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 35.8 p30 -83.72 82.31 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -59.76 -157.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 108.331 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.653 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -149.14 -164.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.236 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.653 ' N ' HG13 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -69.05 137.14 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 109.288 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' ' CD1' ' A' ' 37' ' ' TYR . . . 70.03 22.83 77.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 16' ' ' ASN . 37.6 m-85 -166.42 123.27 1.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.405 ' O ' ' OE1' ' A' ' 43' ' ' GLN . 49.4 m -170.3 -179.13 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.36 51.35 0.51 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 10.0 t70 71.03 -60.66 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 0.804 . . . . 0.0 109.228 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 28.1 mtp-105 -86.65 -84.09 0.18 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.2 m 153.95 94.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.368 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 44' ' ' THR . 1.4 pm0 -156.93 -39.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 0.0 110.268 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 2.4 m -78.32 126.16 30.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.36 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.478 ' HG2' ' CA ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.2 m120 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -79.29 129.73 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 4' ' ' PRO . 34.4 t80 -130.29 141.41 41.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 3' ' ' TYR . 18.4 Cg_endo -75.02 121.29 6.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.43 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -167.4 146.57 10.82 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.449 1.093 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' A' ' 5' ' ' GLY . 1.9 m -157.23 78.76 3.67 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 18.5 Cg_endo -74.98 -177.76 3.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.5 p -78.0 0.67 23.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.051 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -52.45 -61.29 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.606 1.191 . . . . 0.0 110.006 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 7' ' ' PRO . 11.9 p90 -116.94 -53.32 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.43 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 24.6 t70 49.09 70.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.12 41.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -91.03 16.08 10.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 0.807 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -134.91 108.27 7.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.636 1.21 . . . . 0.0 108.251 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -91.53 159.64 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 74.48 -53.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.234 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' GLY . . . 178.92 -73.46 0.07 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.403 1.064 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . 34.84 -154.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.634 HG12 ' CG ' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -143.32 165.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 53.8 t -95.91 137.01 35.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.598 1.186 . . . . 0.0 108.365 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.554 ' O ' HG22 ' A' ' 30' ' ' THR . 10.1 mmm -158.33 127.49 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.682 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 14.0 t-80 -97.46 153.83 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.947 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -114.58 167.49 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.5 mm-40 -120.44 -178.51 3.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 3.0 t 87.36 -31.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.67 15.55 1.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.15 29.61 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.637 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.6 OUTLIER -76.1 153.39 36.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.682 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 84.4 m-85 -114.34 150.99 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.947 ' HB ' HD11 ' A' ' 23' ' ' ILE . 10.1 t -141.16 -174.53 4.04 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -157.44 136.51 11.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.19 . . . . 0.0 108.265 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.634 ' CG ' HG12 ' A' ' 19' ' ' VAL . 9.0 m-20 -70.01 150.88 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 1.113 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 1.6 t -127.45 -152.7 0.53 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 108.268 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 37' ' ' TYR . 26.0 m -147.94 179.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.9 mt -61.24 124.57 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.369 1.043 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 90.78 14.04 58.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.623 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 67.8 m-85 -164.98 138.4 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 44' ' ' THR . 20.9 m -167.51 173.32 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.951 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.39 -166.1 20.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -56.95 -17.19 8.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 0.802 . . . . 0.0 109.273 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 13' ' ' TYR . 18.7 mtt85 -144.11 -78.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.239 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 1.113 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER 169.87 66.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.267 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.419 ' CD ' ' C ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -120.89 -33.35 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.1 m -76.17 110.32 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 14.2 mtt180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -76.91 143.52 39.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.4 t80 -136.66 133.36 18.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.077 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 108.02 2.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -164.09 155.36 26.7 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.2 m 178.03 107.13 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -74.98 -175.47 2.38 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.423 1.749 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -52.25 -20.42 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 110.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.5 t -77.19 4.23 10.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.703 ' CE2' ' CB ' ' A' ' 29' ' ' TYR . 31.9 m-85 -143.62 83.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.06 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.09 55.63 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 14' ' ' CYS . . . 98.38 -32.28 7.13 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.648 ' CE1' ' CE2' ' A' ' 10' ' ' TYR . 1.2 t80 67.86 -43.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 0.826 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.525 ' H ' ' C ' ' A' ' 12' ' ' GLY . 34.1 m -103.6 119.65 39.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -101.52 139.87 36.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER 32.25 58.35 0.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . 169.92 105.99 0.19 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.495 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . 48.27 -156.07 1.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -131.04 -178.23 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.561 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -79.22 161.53 26.31 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.552 1.157 . . . . 0.0 108.327 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.942 ' O ' HG22 ' A' ' 30' ' ' THR . 0.2 OUTLIER -154.65 108.51 2.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 28' ' ' SER . 9.0 t-80 -74.51 150.2 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.577 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.782 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -113.59 163.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -115.98 -7.94 11.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -60.59 -29.09 68.98 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -159.7 25.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.374 1.046 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.26 26.44 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 30.0 t -86.7 163.62 17.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.703 ' CB ' ' CE2' ' A' ' 10' ' ' TYR . 60.7 m-85 -115.03 117.97 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.942 HG22 ' O ' ' A' ' 21' ' ' MET . 14.7 t -101.03 -179.6 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.381 1.05 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -134.5 130.34 36.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 108.34 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.495 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 1.4 p-10 -121.96 97.08 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 1.088 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 64.5 m -84.89 -118.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 108.334 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -144.13 -169.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.456 ' C ' ' H ' ' A' ' 37' ' ' TYR . 2.1 pt -52.28 140.2 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 44' ' ' THR . . . 53.21 10.08 1.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.614 1.196 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.68 ' CZ ' ' HG2' ' A' ' 45' ' ' ARG . 5.3 m-85 -125.59 119.25 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.982 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 t -167.04 -161.57 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 110.042 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 109.02 169.3 20.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER -37.66 -30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 0.802 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.532 ' CB ' ' O ' ' A' ' 13' ' ' TYR . 33.3 mtm-85 -132.3 -64.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 1.088 ' SG ' ' CB ' ' A' ' 33' ' ' CYS . 1.2 m 173.69 22.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 108.246 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' ARG . 20.9 tt0 -65.87 -30.1 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.361 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 5.4 m -66.21 62.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.68 ' HG2' ' CZ ' ' A' ' 37' ' ' TYR . 2.2 ttp-105 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.238 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' GLU . 53.8 m-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.449 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 5.8 m -114.3 126.87 55.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.951 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' HIS . 47.9 t80 -133.22 140.1 36.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.613 1.196 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 3' ' ' TYR . 18.4 Cg_endo -74.93 118.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.525 1.802 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.7 150.92 11.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -172.4 100.41 0.36 Allowed Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.97 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.423 ' HA ' ' OD2' ' A' ' 11' ' ' ASP . 96.0 p -86.18 13.09 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -68.11 -48.34 65.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.889 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -98.34 -58.49 1.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.424 1.078 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.423 ' OD2' ' HA ' ' A' ' 8' ' ' SER . 10.9 m-20 59.25 78.31 0.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.36 40.82 0.42 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 29' ' ' TYR . 2.2 t80 -87.63 20.18 3.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.37 0.688 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -140.33 134.24 30.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.261 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 41' ' ' ARG . 2.7 mt -142.85 174.13 10.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.602 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 2.5 m-20 41.42 54.2 3.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.85 77.49 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.925 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' CYS . . . -138.87 132.7 5.85 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.833 HG12 ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -89.75 169.86 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.4 t -80.89 138.46 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.237 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.732 ' O ' HG22 ' A' ' 30' ' ' THR . 2.4 mmm -160.96 113.99 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.698 ' CD2' ' CD2' ' A' ' 29' ' ' TYR . 18.8 t-80 -92.35 132.78 36.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.623 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.717 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -82.91 154.48 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 1' ' ' ASN . 11.2 mt-10 -121.49 -7.61 9.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 0.0 110.384 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.546 ' O ' HD22 ' A' ' 26' ' ' LEU . 33.0 t -68.9 -38.63 79.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.634 1.209 . . . . 0.0 109.925 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -130.31 12.74 5.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.7 27.54 16.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.626 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 7.5 t -95.7 170.35 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.075 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 89.1 m-85 -111.41 142.13 44.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 21' ' ' MET . 10.9 t -140.28 -162.78 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 19' ' ' VAL . 1.3 m -154.47 133.37 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.498 1.124 . . . . 0.0 108.399 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.833 ' CB ' HG12 ' A' ' 19' ' ' VAL . 15.8 t-20 -71.32 109.5 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 1.313 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 8.8 m -88.98 -153.67 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 37' ' ' TYR . 3.3 m -147.5 -177.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.1 mt -45.86 158.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.39 1.056 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 37.73 33.42 0.14 Allowed Glycine 0 CA--C 1.528 0.872 0 O-C-N 124.428 1.08 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.602 ' CE1' ' HB3' ' A' ' 16' ' ' ASN . 15.7 m-85 -161.71 103.42 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.385 0.697 . . . . 0.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 44' ' ' THR . 85.0 p -160.62 168.19 25.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.64 41.06 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 18.1 t70 60.96 117.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.237 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.497 ' HG2' HD12 ' A' ' 15' ' ' LEU . 32.9 ttp-105 73.37 1.88 4.12 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 1.313 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.8 m 65.2 87.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 108.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.76 -46.95 2.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 38' ' ' SER . 2.3 m -65.46 98.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.4 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.538 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 3.2 ttt-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -83.16 132.19 35.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 22' ' ' HIS . 61.6 t80 -131.44 132.93 23.85 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 115.06 4.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.401 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -177.33 156.87 21.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.401 ' SG ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 172.56 108.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.429 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 18.0 Cg_endo -75.02 175.72 10.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -50.57 -26.38 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.083 . . . . 0.0 109.944 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t -66.48 -26.71 67.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 65.3 m-85 -117.19 47.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -99.21 46.6 0.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.436 ' O ' ' NH1' ' A' ' 41' ' ' ARG . . . 171.9 38.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 40' ' ' ASP . 1.1 t80 -99.03 12.01 37.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.8 122.72 15.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -129.65 173.73 10.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.409 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 87.4 m-20 44.82 65.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.403 1.064 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.19 76.59 0.17 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 33' ' ' CYS . . . -136.27 145.96 17.91 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.544 HG12 ' CB ' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -96.28 166.01 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.453 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 4.2 t -98.85 137.05 37.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.474 ' HB3' ' CG2' ' A' ' 30' ' ' THR . 2.4 tpt -155.56 131.88 10.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.628 ' CD2' ' O ' ' A' ' 28' ' ' SER . 16.2 t-80 -103.76 136.66 43.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.631 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.717 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -91.84 160.76 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -118.61 -9.06 10.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 m -55.67 -30.86 61.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -157.2 24.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.94 25.25 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.628 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 7.4 t -84.32 162.68 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 10' ' ' TYR . 83.1 m-85 -112.24 139.12 48.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.717 ' HB ' HD11 ' A' ' 23' ' ' ILE . 10.0 t -129.11 -172.48 2.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 1.2 m -161.16 134.33 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 108.348 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.544 ' CB ' HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -96.8 96.22 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 1.127 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 2.5 t -60.3 -121.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 108.339 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.811 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -147.35 -155.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.811 ' N ' HG13 ' A' ' 34' ' ' VAL . 67.4 mt -49.01 148.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 45' ' ' ARG . . . 32.38 39.11 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.08 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.573 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.0 m-85 -157.82 125.58 5.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.536 0.786 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 37' ' ' TYR . 4.8 m -169.63 -160.44 0.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.6 -165.06 12.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 30.6 m-20 -63.04 -13.49 36.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.54 ' HA ' ' O ' ' A' ' 13' ' ' TYR . 56.8 mtp85 -142.06 -87.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 1.127 ' SG ' ' CB ' ' A' ' 33' ' ' CYS . 39.9 t 176.88 33.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 0.0 108.258 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -106.0 2.05 27.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.8 m -112.76 127.06 56.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.604 1.19 . . . . 0.0 110.372 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 21.3 mtp180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.279 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' ILE . 12.9 m120 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -120.34 122.27 40.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 22' ' ' HIS . 45.7 t80 -129.04 137.82 31.84 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.569 1.168 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.3 Cg_endo -75.0 107.1 2.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -167.21 154.22 24.36 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.41 1.069 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -178.44 100.82 0.21 Allowed Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.1 Cg_endo -75.1 -176.33 2.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -87.3 14.29 8.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 109.939 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 m -74.99 -41.84 58.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 29' ' ' TYR . 92.4 m-85 -84.38 -67.82 0.77 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.7 75.6 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.97 37.43 0.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE2' ' O ' ' A' ' 29' ' ' TYR . 2.6 t80 -103.15 -6.26 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.595 ' C ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -132.02 111.09 11.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 1.054 . . . . 0.0 108.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -124.56 173.53 8.42 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.448 ' ND2' ' CD2' ' A' ' 37' ' ' TYR . 72.8 m-20 52.74 67.59 0.96 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 49.42 32.58 15.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 32' ' ' ASN . . . -84.69 160.33 35.62 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 20' ' ' CYS . 45.2 t -114.38 170.77 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.65 0.853 . . . . 0.0 109.202 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.568 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -112.65 138.67 49.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' THR . 3.4 mmt -154.01 156.97 38.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.562 ' CE1' ' HA ' ' A' ' 27' ' ' ASP . 3.5 t-160 -111.01 157.75 19.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.699 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.699 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -110.17 -19.06 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' C ' ' H ' ' A' ' 26' ' ' LEU . 5.5 tt0 52.78 170.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 77.18 -25.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.094 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 24' ' ' GLU . 2.3 mt -143.2 15.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HA ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER 49.05 22.3 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.515 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -81.2 115.75 20.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.976 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 64.6 m-85 -98.29 127.52 44.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.699 ' HB ' HD11 ' A' ' 23' ' ' ILE . 5.3 t -105.21 -170.68 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.54 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.496 ' N ' ' OG1' ' A' ' 30' ' ' THR . 1.0 OUTLIER -160.78 131.25 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.639 1.212 . . . . 0.0 108.308 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.504 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 29.6 t-20 -78.88 156.87 28.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 1.285 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER -119.94 -150.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 108.311 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.638 HG22 ' H ' ' A' ' 35' ' ' ILE . 1.2 p -157.72 -162.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.363 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.638 ' H ' HG22 ' A' ' 34' ' ' VAL . 28.2 mt -72.82 128.7 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.644 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 89.94 7.76 67.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.391 1.057 . . . . 0.0 111.04 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 36' ' ' GLY . 45.0 m-85 -164.65 142.04 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.463 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 21.4 t -162.12 164.25 28.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.04 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.47 -179.13 17.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.1 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.11 -13.66 62.04 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.526 HH21 HD21 ' A' ' 15' ' ' LEU . 5.5 ttp180 -138.25 14.58 2.81 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 1.285 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 11.8 t 48.07 73.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.409 ' CD ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -125.49 -32.99 2.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.8 m -69.58 105.15 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.644 ' HG3' ' CE2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.233 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -111.67 120.28 41.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.56 ' CD1' ' HD2' ' A' ' 4' ' ' PRO . 64.3 t80 -120.93 140.72 31.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 3' ' ' TYR . 18.1 Cg_endo -75.07 109.08 2.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 6' ' ' CYS . . . 178.18 157.86 19.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.543 ' HA ' ' CE1' ' A' ' 29' ' ' TYR . 7.4 p 168.72 119.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 17.9 Cg_endo -75.11 -175.88 2.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.528 1.804 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.0 t -86.34 13.6 7.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.908 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -71.81 -36.18 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.091 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.792 ' CG ' ' CD2' ' A' ' 13' ' ' TYR . 65.6 m-85 -99.14 -8.93 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 62.59 55.78 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 88.44 -31.92 4.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.792 ' CD2' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 58.76 13.44 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.593 0.819 . . . . 0.0 111.082 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -136.61 120.5 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -119.53 176.45 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.171 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 68.9 m-80 65.32 -59.92 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.555 1.16 . . . . 0.0 109.389 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 166.39 76.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.43 156.24 23.95 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.488 ' HB ' ' OD1' ' A' ' 32' ' ' ASN . 2.1 t -91.45 158.81 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.586 0.815 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.475 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -90.58 141.79 28.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.32 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 tpt -156.07 128.46 7.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.681 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 9.3 t-160 -94.6 148.8 21.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.898 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -111.93 166.13 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 25' ' ' SER . 24.6 mt-10 -117.14 -178.25 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 110.219 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.8 t 88.44 -29.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.929 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.79 18.07 0.69 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.161 . . . . 0.0 109.387 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' C ' ' HE2' ' A' ' 22' ' ' HIS . 5.8 m-20 48.86 38.32 11.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.2 t -84.03 154.94 22.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.681 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 72.8 m-85 -114.94 144.07 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.898 ' HB ' HD11 ' A' ' 23' ' ' ILE . 8.1 t -136.18 -176.48 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -155.72 123.58 5.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 108.386 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.488 ' OD1' ' HB ' ' A' ' 19' ' ' VAL . 14.6 p-10 -77.9 109.11 11.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.212 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 9.4 m -78.41 -145.37 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.533 1.145 . . . . 0.0 108.237 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' N ' ' A' ' 35' ' ' ILE . 1.8 m -144.65 -178.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.724 ' N ' HG23 ' A' ' 34' ' ' VAL . 1.7 mm -69.65 102.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 116.82 8.38 12.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.399 1.062 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.674 ' CE2' ' HG3' ' A' ' 45' ' ' ARG . 31.2 m-85 -148.92 130.41 14.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 0.725 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.428 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 7.4 p -161.56 164.26 29.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 135.98 48.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' GLY . 4.9 p-10 37.96 38.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 0.734 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.472 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 10.1 ttp180 177.08 -27.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.64 1.212 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.472 ' SG ' ' C ' ' A' ' 41' ' ' ARG . 1.6 m 81.76 79.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.465 ' OE1' ' NE ' ' A' ' 41' ' ' ARG . 4.9 mt-30 -134.49 -37.7 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 m -79.39 118.15 21.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.674 ' HG3' ' CE2' ' A' ' 37' ' ' TYR . 2.5 ttm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.346 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . 0.746 HD21 ' CD ' ' A' ' 24' ' ' GLU . 5.2 p-10 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -71.66 122.52 20.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.0 t80 -125.71 135.16 26.62 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.368 1.043 . . . . 0.0 110.978 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.97 4.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -170.04 152.57 19.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -174.8 94.74 0.29 Allowed Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 18.0 Cg_endo -74.96 -178.29 4.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -53.78 -24.41 15.19 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.26 4.18 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.405 1.065 . . . . 0.0 110.022 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.709 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 60.8 m-85 -143.33 77.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.5 1.125 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.29 56.17 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.382 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.424 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 99.84 -31.76 8.03 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.528 1.143 . . . . 0.0 111.083 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' CD2' ' A' ' 10' ' ' TYR . 5.4 t80 47.15 20.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.494 0.761 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 36.0 m -132.01 145.9 51.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.932 HD13 ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -145.55 162.95 36.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.58 1.175 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.624 ' OD1' HD23 ' A' ' 15' ' ' LEU . 2.9 m120 76.78 -53.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.37 80.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.78 149.53 21.16 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.7 t -90.94 151.66 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 1.8 t -80.18 135.86 36.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 108.412 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.533 ' O ' HG22 ' A' ' 30' ' ' THR . 1.1 tpt -155.42 123.45 5.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 28' ' ' SER . 11.2 t-80 -89.66 154.08 20.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.832 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -116.85 168.87 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.746 ' CD ' HD21 ' A' ' 1' ' ' ASN . 8.5 mt-10 -122.08 -178.32 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.9 t 88.7 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.46 17.48 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.201 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.84 38.25 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.621 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.6 t -85.43 156.45 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.936 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.709 ' CD1' ' CZ ' ' A' ' 10' ' ' TYR . 63.5 m-85 -117.09 146.84 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.832 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.9 t -139.65 -168.95 2.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.2 m -154.53 134.13 12.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 108.228 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' VAL . 5.0 m-20 -70.08 105.69 2.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.138 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 3.4 m -90.98 -162.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 108.235 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.443 HG22 ' HB2' ' A' ' 37' ' ' TYR . 3.9 m -147.77 -175.04 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.627 ' C ' ' H ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -42.81 132.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.55 -35.12 0.17 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.609 1.193 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.627 ' H ' ' C ' ' A' ' 35' ' ' ILE . 38.8 m-85 -77.89 117.74 19.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.411 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 60.4 p -152.61 -160.13 1.1 Allowed 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 42' ' ' CYS . . . 74.5 132.99 0.27 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 7.7 p-10 -33.56 117.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.618 0.834 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.688 ' O ' HD22 ' A' ' 15' ' ' LEU . 9.7 mtp85 85.85 16.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.578 ' N ' ' O ' ' A' ' 39' ' ' GLY . 3.6 m 41.18 60.08 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 108.367 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.01 -33.11 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.1 m -69.49 89.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.583 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 5.5 ttm105 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.466 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 18.3 m -155.03 158.18 38.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.601 ' CZ ' ' OE2' ' A' ' 24' ' ' GLU . 30.5 m-85 -143.33 140.47 17.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 83.68 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.407 1.741 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' SG ' ' A' ' 20' ' ' CYS . . . -142.43 163.17 27.21 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.05 111.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.606 ' O ' ' CB ' ' A' ' 8' ' ' SER . 18.5 Cg_endo -75.04 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.453 1.765 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.606 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 3.6 p 95.05 -6.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.964 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -76.65 -0.73 24.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.562 ' OH ' ' CD1' ' A' ' 29' ' ' TYR . 47.3 m-85 -85.38 -89.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER 157.33 89.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 14' ' ' CYS . . . 39.42 52.51 2.91 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.423 1.077 . . . . 0.0 111.039 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -43.87 -21.93 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 0.715 . . . . 0.0 111.012 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -130.02 109.83 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.579 1.175 . . . . 0.0 108.312 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -125.44 165.33 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.235 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER 82.11 -54.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.52 78.56 0.03 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 32' ' ' ASN . . . -151.25 149.24 20.99 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.587 HG12 ' HB2' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -85.59 168.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.564 0.803 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 10.6 t -100.4 127.2 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 108.288 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.85 ' O ' HG22 ' A' ' 30' ' ' THR . 4.0 mmt -138.28 117.19 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.838 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 10.1 t-160 -85.79 137.6 32.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.794 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -97.11 157.38 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.366 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.601 ' OE2' ' CZ ' ' A' ' 3' ' ' TYR . 2.0 mt-10 -119.01 -5.67 10.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.387 1.054 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 t -57.58 -27.19 62.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -161.86 26.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.69 25.28 14.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.572 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.5 t -87.06 165.73 15.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.023 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.838 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 5.9 m-85 -118.32 147.95 42.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 21' ' ' MET . 15.3 t -138.22 -175.0 3.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -153.95 127.85 8.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 108.266 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.587 ' HB2' HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -77.17 94.45 4.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.383 1.052 . . . . 0.0 109.332 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 1.154 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 2.3 t -61.13 -147.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -151.0 -162.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.213 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.682 ' N ' HG13 ' A' ' 34' ' ' VAL . 1.1 mm -77.09 128.2 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.461 1.1 . . . . 0.0 109.222 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.616 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 90.68 3.7 70.9 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.562 1.164 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 36' ' ' GLY . 64.5 m-85 -157.29 143.89 18.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.033 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 5.0 m -160.19 -178.05 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.951 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 41' ' ' ARG . . . 108.48 177.31 21.89 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.611 ' OD2' ' CE1' ' A' ' 13' ' ' TYR . 27.2 t70 -45.16 -25.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.542 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 4.0 mtt180 -128.4 -82.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 1.154 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER 172.15 26.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 108.304 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -76.03 -27.54 57.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 6.3 m -75.18 91.78 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 0.0 110.427 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.614 ' CG ' ' CE2' ' A' ' 37' ' ' TYR . 2.2 mtm-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -74.69 130.58 39.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.439 1.087 . . . . 0.0 109.897 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' HIS . 63.4 t80 -125.38 132.52 24.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.2 Cg_endo -74.98 108.42 2.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.574 1.828 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.24 150.64 22.71 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 10' ' ' TYR . 1.7 t -177.07 82.99 0.25 Allowed Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.489 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -75.02 176.51 9.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.401 1.737 . . . . 0.0 111.058 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.0 t -56.14 -21.32 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.2 t -81.87 6.57 15.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.97 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.727 ' CZ ' ' CG ' ' A' ' 29' ' ' TYR . 24.1 m-85 -138.57 68.53 1.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -113.77 55.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.376 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.51 42.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' C ' ' CG ' ' A' ' 41' ' ' ARG . 7.3 t80 -102.66 12.1 36.8 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.517 0.775 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 1.6 m -133.25 121.69 22.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 108.305 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.63 HD11 ' HD2' ' A' ' 41' ' ' ARG . 13.5 mt -111.76 -175.94 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.656 HD22 ' HB3' ' A' ' 42' ' ' CYS . 79.2 m-20 48.16 23.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 15' ' ' LEU . . . 68.21 70.22 1.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.4 163.73 14.77 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 20' ' ' CYS . 4.1 t -88.23 168.35 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.397 0.704 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.438 ' H ' HG12 ' A' ' 19' ' ' VAL . 2.0 t -96.4 136.49 36.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.427 ' HB3' ' CG2' ' A' ' 30' ' ' THR . 0.0 OUTLIER -154.08 135.9 14.51 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.538 1.148 . . . . 0.0 111.008 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.688 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 8.7 t-160 -102.74 148.44 25.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.621 1.201 . . . . 0.0 109.547 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.631 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -109.37 155.47 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -116.01 -18.39 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.5 t -54.59 -20.26 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.178 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 1.3 mt -164.04 31.98 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 3.1 p-10 46.1 28.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.607 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.6 t -89.21 169.02 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.727 ' CG ' ' CZ ' ' A' ' 10' ' ' TYR . 11.8 m-85 -116.31 144.06 44.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.631 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.7 t -133.73 -170.15 2.44 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.461 1.1 . . . . 0.0 110.466 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -157.77 132.96 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -72.01 90.7 1.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 4.7 m -75.12 -135.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 108.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.1 -176.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.438 ' H ' HG23 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -54.14 151.8 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.288 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 47.87 22.51 2.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.624 1.203 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.693 ' CZ ' ' HG3' ' A' ' 45' ' ' ARG . 10.3 m-85 -147.36 114.05 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 0.717 . . . . 0.0 110.987 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 p -164.78 -154.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.581 1.176 . . . . 0.0 109.958 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.52 -73.62 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 22.0 t70 -177.74 108.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.63 ' HD2' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER 78.43 13.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.174 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 3.5 m 68.32 69.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 108.305 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.611 HE21 ' C ' ' A' ' 43' ' ' GLN . 1.2 tp60 -119.58 -44.56 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 110.326 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.3 m -65.72 72.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.693 ' HG3' ' CZ ' ' A' ' 37' ' ' TYR . 41.9 ttp-105 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -86.46 121.49 29.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' HIS . 61.8 t80 -126.3 135.49 27.25 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 122.18 7.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.532 ' O ' ' CB ' ' A' ' 6' ' ' CYS . . . 165.57 157.84 10.23 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.497 1.123 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.548 ' HA ' ' CE1' ' A' ' 29' ' ' TYR . 1.8 p 157.43 89.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.504 ' C ' ' N ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.94 172.58 16.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.066 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 10' ' ' TYR . 8.5 t 47.39 15.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.123 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.504 ' N ' ' C ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 46.86 22.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.949 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 29' ' ' TYR . 1.7 m-85 31.39 38.36 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.554 1.159 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' SER . 22.4 t70 61.98 74.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.18 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.44 40.03 1.86 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CD1' ' HB3' ' A' ' 10' ' ' TYR . 8.4 t80 -44.36 -24.54 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.496 0.762 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -124.49 143.18 50.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 108.297 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -162.33 173.25 14.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.563 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 80.2 m-20 52.53 66.4 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.24 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.45 34.36 59.7 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 32' ' ' ASN . . . -102.22 122.83 7.67 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 15.6 t -82.81 161.15 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.6 0.824 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 1.7 t -98.65 133.99 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.604 ' O ' HG22 ' A' ' 30' ' ' THR . 73.3 mmm -154.26 117.78 4.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.622 ' CD2' ' O ' ' A' ' 28' ' ' SER . 16.3 t-80 -88.66 131.4 35.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.626 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -80.55 159.2 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 1' ' ' ASN . 39.7 mt-10 -119.26 -35.95 3.48 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.575 1.172 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.505 ' O ' HD22 ' A' ' 26' ' ' LEU . 70.1 m -55.94 -36.92 68.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.557 1.161 . . . . 0.0 109.871 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.505 HD22 ' O ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -120.73 15.45 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 44.18 24.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.622 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -97.45 174.04 6.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.019 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 10' ' ' TYR . 41.5 m-85 -111.67 142.14 44.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.661 HG23 ' N ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -131.3 -171.65 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.441 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.661 ' N ' HG23 ' A' ' 30' ' ' THR . 1.5 m -162.56 118.89 1.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 108.245 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.458 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 52.0 t30 -74.51 93.46 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.61 1.194 . . . . 0.0 109.351 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 42' ' ' CYS . 7.7 m -67.01 -147.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.288 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.822 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -151.28 -162.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.822 ' N ' HG13 ' A' ' 34' ' ' VAL . 1.3 mm -57.76 154.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 45' ' ' ARG . . . 37.66 29.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 16' ' ' ASN . 6.4 m-85 -151.47 116.56 5.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 0.76 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.1 p -161.27 -168.79 2.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 103.84 44.75 1.6 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.385 1.053 . . . . 0.0 110.905 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 39' ' ' GLY . 22.7 m-20 38.09 48.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.463 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 16.6 ttm105 174.6 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 1.8 m 83.7 20.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -83.88 -22.14 31.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.596 1.185 . . . . 0.0 110.239 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.438 ' N ' ' NE2' ' A' ' 43' ' ' GLN . 2.9 m -92.82 126.34 37.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 27.9 mtm180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ASN . . . . . 0.491 ' OD1' ' CB ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -75.19 128.96 36.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.5 t80 -126.55 139.3 34.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.044 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.0 Cg_endo -75.11 113.96 3.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.428 1.751 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -170.63 151.93 17.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -174.78 95.94 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.0 -176.82 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -86.62 11.15 13.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.403 1.065 . . . . 0.0 110.082 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 t -67.84 -50.3 57.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.949 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.593 ' OH ' ' CD2' ' A' ' 29' ' ' TYR . 8.6 m-85 -88.59 -62.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 t70 53.67 72.66 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.33 40.37 0.15 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.61 ' CE2' ' OD2' ' A' ' 40' ' ' ASP . 2.0 t80 -100.46 2.26 41.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -138.66 114.0 9.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 108.322 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD12 ' CB ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -110.68 -179.17 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.76 HD22 ' HB3' ' A' ' 42' ' ' CYS . 76.8 m-20 43.96 61.74 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.34 41.53 12.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.8 142.2 17.6 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.591 HG12 ' HB2' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -80.2 170.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.41 0.712 . . . . 0.0 109.208 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.537 ' N ' HG13 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -113.67 138.51 50.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 108.319 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.48 ' O ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -154.87 132.29 11.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.571 1.17 . . . . 0.0 110.971 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 28' ' ' SER . 10.8 t-160 -95.52 152.1 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.659 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.942 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -114.94 169.03 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.403 1.065 . . . . 0.0 109.352 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.4 mm-40 -122.55 -177.46 3.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.7 t 88.28 -29.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.1 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.3 17.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 50.86 38.4 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.066 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.605 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t -85.51 154.99 21.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.19 . . . . 0.0 109.959 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.593 ' CD2' ' OH ' ' A' ' 10' ' ' TYR . 19.4 m-85 -116.9 149.88 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.942 ' HB ' HD11 ' A' ' 23' ' ' ILE . 9.3 t -139.6 -173.03 3.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 1.7 m -158.54 143.83 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.198 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.591 ' HB2' HG12 ' A' ' 19' ' ' VAL . 88.9 m-20 -94.57 148.96 21.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.373 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -119.38 -159.43 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 108.315 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' A' ' 37' ' ' TYR . 1.2 m -149.42 159.87 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -34.47 138.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 45' ' ' ARG . . . 86.45 -33.77 3.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.618 1.199 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.638 ' HA ' ' O ' ' A' ' 44' ' ' THR . 57.5 m-85 -122.95 142.06 51.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 0.771 . . . . 0.0 111.049 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.486 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 59.8 p -158.96 -178.54 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.933 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 114.38 159.11 12.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.61 ' OD2' ' CE2' ' A' ' 13' ' ' TYR . 35.2 t70 -36.35 -32.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.582 ' CB ' HD12 ' A' ' 15' ' ' LEU . 25.7 mtm-85 -122.67 -48.74 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.76 ' HB3' HD22 ' A' ' 16' ' ' ASN . 1.2 m 153.43 38.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 108.333 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.53 ' CG ' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -53.2 -55.32 25.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.638 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.2 m -56.63 139.3 50.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 36' ' ' GLY . 39.2 mtt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.443 ' HB2' ' CB ' ' A' ' 24' ' ' GLU . 4.4 m120 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -114.47 138.72 50.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' HIS . 4.1 t80 -146.43 132.46 9.5 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 110.58 3.14 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.83 151.61 19.8 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.525 1.14 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.9 t -178.07 89.11 0.23 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.596 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.0 Cg_endo -75.04 179.04 6.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.483 1.78 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 m -92.0 17.72 8.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.428 1.08 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.5 m -78.1 -19.05 54.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.525 ' O ' ' CB ' ' A' ' 11' ' ' ASP . 46.3 m-85 -92.26 -98.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.069 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER 153.89 88.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.376 1.048 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' CYS . . . 42.93 46.9 6.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.375 1.047 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.44 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.9 t80 -34.48 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 111.022 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m -103.89 122.37 45.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 108.257 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 0.0 OUTLIER -127.21 166.5 17.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.395 1.06 . . . . 0.0 109.352 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.467 ' OD1' ' CB ' ' A' ' 42' ' ' CYS . 5.0 m120 80.33 -50.93 0.35 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 153.6 80.13 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.409 1.068 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' CA ' ' O ' ' A' ' 32' ' ' ASN . . . -151.94 156.74 26.86 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.06 165.02 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.474 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 2.0 t -113.39 136.42 52.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 108.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.694 ' HG3' HG23 ' A' ' 30' ' ' THR . 2.1 ppp? -145.54 138.54 26.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.763 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 9.6 t-160 -90.03 146.84 24.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.122 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.058 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -110.22 155.1 11.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' CB ' ' HB2' ' A' ' 1' ' ' ASN . 11.9 mt-10 -112.05 -6.16 14.21 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.8 t -58.68 -29.04 66.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 110.049 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -158.08 24.08 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.02 29.81 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' HG13 ' A' ' 23' ' ' ILE . 23.3 t -99.03 159.54 14.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.602 1.189 . . . . 0.0 109.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.763 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 51.1 m-85 -110.33 134.58 52.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.598 1.186 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 1.058 ' HB ' HD11 ' A' ' 23' ' ' ILE . 5.1 t -122.94 -174.03 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.618 ' CB ' ' HA ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -150.29 156.1 40.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 108.326 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.448 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 35.7 p-10 -126.43 134.33 51.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.619 1.199 . . . . 0.0 109.267 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -111.32 -144.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.583 1.177 . . . . 0.0 108.265 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.491 ' O ' ' O ' ' A' ' 37' ' ' TYR . 14.4 m -143.5 178.58 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' VAL . 3.9 mt -37.98 132.51 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.123 . . . . 0.0 109.326 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.671 ' O ' ' HA ' ' A' ' 45' ' ' ARG . . . 80.76 8.3 87.64 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 91.3 m-85 -166.1 134.75 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 111.006 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.611 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 0.2 OUTLIER 179.88 -164.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.522 ' N ' ' OG ' ' A' ' 38' ' ' SER . . . 104.14 -132.97 11.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.413 1.071 . . . . 0.0 111.046 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' OD1' ' CE2' ' A' ' 13' ' ' TYR . 10.4 t70 -73.15 -14.62 61.4 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 0.735 . . . . 0.0 109.225 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.618 ' HA ' ' CB ' ' A' ' 31' ' ' CYS . 1.0 OUTLIER -166.43 -87.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.467 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 89.8 m -148.89 18.21 0.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.573 1.171 . . . . 0.0 108.257 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 45' ' ' ARG . 27.2 tt0 -66.55 -48.7 68.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.39 1.056 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 30.1 m -66.21 69.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.484 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.671 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 16.0 ptm180 -68.56 55.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.386 1.054 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.512 ' O ' ' CA ' ' A' ' 36' ' ' GLY . 10.5 t70 -129.34 179.43 5.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.179 . . . . 0.0 109.353 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.625 ' O ' ' CZ2' ' A' ' 50' ' ' TRP . 3.2 mm? -82.82 -114.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' TRP . 0.5 OUTLIER 71.35 87.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.365 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -42.82 99.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.625 ' CZ2' ' O ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -109.28 65.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -164.12 149.05 10.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.372 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.41 150.36 48.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.239 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.7 m120 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.594 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 67.5 m -162.96 144.29 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 109.891 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.598 ' CE1' ' HB2' ' A' ' 24' ' ' GLU . 3.2 m-85 -143.36 133.91 12.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.81 0.96 Allowed 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.421 1.748 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.411 ' O ' ' SG ' ' A' ' 20' ' ' CYS . . . -150.12 144.26 11.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.6 94.94 0.57 Allowed Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -177.18 3.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.563 1.822 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.4 p -53.99 -20.35 6.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.594 1.184 . . . . 0.0 109.955 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -46.89 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.037 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' CD1' ' HE1' ' A' ' 13' ' ' TYR . 0.2 OUTLIER -104.27 -58.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 111.076 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.5 t70 58.1 80.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 14' ' ' CYS . . . 107.32 40.27 1.81 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.408 1.068 . . . . 0.0 111.004 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' O ' ' CG ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -41.33 -26.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.065 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.156 ' SG ' ' CB ' ' A' ' 31' ' ' CYS . 48.4 m -110.22 156.8 20.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 108.32 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.607 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -144.95 138.37 26.82 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.31 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.607 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER 21.81 56.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 42' ' ' CYS . . . -158.97 -89.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.543 1.152 . . . . 0.0 111.047 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . -114.71 -157.41 11.73 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.503 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 15.0 t -116.37 154.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.406 0.709 . . . . 0.0 109.285 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 8.9 t -71.24 137.68 48.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.59 1.181 . . . . 0.0 108.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.779 ' O ' HG22 ' A' ' 30' ' ' THR . 1.2 mtp -146.66 114.98 6.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.613 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 19.0 t-80 -92.03 134.15 35.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.601 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.766 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -89.07 162.95 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.343 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.598 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . 5.1 mm-40 -124.0 -3.53 8.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 81.0 p -63.52 -27.92 69.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.083 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.49 22.74 0.47 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.552 1.158 . . . . 0.0 109.392 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.63 29.06 18.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 29.4 t -92.73 160.93 14.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 110.019 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.613 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 31.8 m-85 -110.69 138.45 47.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 111.055 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 21' ' ' MET . 15.1 t -129.84 -166.52 1.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 1.156 ' CB ' ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -160.58 123.76 3.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 108.285 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 19' ' ' VAL . 12.4 p30 -85.97 86.05 7.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.414 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.95 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.4 OUTLIER -64.45 -160.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 108.326 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -141.07 -170.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.291 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -59.36 150.48 5.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.354 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 46' ' ' ASP . . . 45.45 24.42 1.05 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.608 ' CE1' ' HG3' ' A' ' 45' ' ' ARG . 12.0 m-85 -149.92 118.7 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -163.99 -177.15 4.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.026 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 109.69 57.33 0.52 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.426 1.078 . . . . 0.0 110.969 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 7.4 t70 70.31 -59.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.339 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.529 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 7.3 mtm180 -100.2 -71.3 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.95 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 1.1 m 157.36 42.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 108.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.521 ' CG ' HH11 ' A' ' 41' ' ' ARG . 2.1 mt-30 -89.6 -31.6 17.5 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.554 1.159 . . . . 0.0 110.271 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -81.58 97.39 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.635 ' NH1' ' CZ3' ' A' ' 50' ' ' TRP . 2.1 ttp85 -81.35 90.93 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.353 1.033 . . . . 0.0 110.306 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.524 ' C ' HD22 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -80.92 -148.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.524 HD22 ' C ' ' A' ' 46' ' ' ASP . 2.9 mm? -131.7 -95.26 0.35 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER 77.79 75.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.486 1.116 . . . . 0.0 110.24 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.709 ' CG ' ' O ' ' A' ' 49' ' ' TRP . 0.0 OUTLIER 42.06 94.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.636 1.21 . . . . 0.0 108.039 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.635 ' CZ3' ' NH1' ' A' ' 45' ' ' ARG . 1.6 m0 -121.52 -178.24 3.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.544 1.152 . . . . 0.0 108.045 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -127.39 149.76 49.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.208 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 pp -127.35 148.05 50.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.396 1.06 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.427 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -104.39 133.61 49.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' HIS . 51.2 t80 -130.06 136.06 28.44 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.377 1.048 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.1 Cg_endo -75.12 113.37 3.77 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.786 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.85 155.97 23.97 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.402 1.064 . . . . 0.0 111.021 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 3.1 t -179.7 101.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.581 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.1 Cg_endo -75.02 -176.17 2.74 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 0.0 110.988 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 94.3 p -88.9 17.01 6.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.4 t -80.66 -42.8 21.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.075 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.786 ' CG ' ' CD2' ' A' ' 13' ' ' TYR . 2.4 m-85 -100.67 13.96 33.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 43.98 52.84 6.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.083 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 88.63 -27.59 7.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.538 1.148 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.786 ' CD2' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 60.38 11.16 2.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 110.961 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 2.6 m -133.06 124.39 27.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.365 1.041 . . . . 0.0 108.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -122.15 176.65 5.72 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.524 1.14 . . . . 0.0 109.393 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 3.3 m-20 70.02 -55.83 0.59 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.398 1.061 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 156.32 81.23 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.391 1.057 . . . . 0.0 111.027 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -150.44 163.09 29.49 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 t -93.05 164.92 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.444 0.732 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 4.4 t -107.69 144.9 34.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.571 ' O ' HG22 ' A' ' 30' ' ' THR . 9.6 mtp -151.01 133.91 15.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.63 ' NE2' ' CE1' ' A' ' 29' ' ' TYR . 2.8 t-160 -84.43 153.95 23.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.564 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.886 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -109.58 -19.47 6.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.324 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 23' ' ' ILE . 8.1 pt-20 46.75 -174.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER 83.6 -33.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.959 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.75 12.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.86 37.52 5.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.61 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.0 t -94.89 143.32 26.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 110.04 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.63 ' CE1' ' NE2' ' A' ' 22' ' ' HIS . 26.0 m-85 -121.41 142.41 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.886 ' HB ' HD11 ' A' ' 23' ' ' ILE . 5.5 t -130.63 -177.27 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.432 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -156.01 147.1 22.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.561 1.163 . . . . 0.0 108.243 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 19' ' ' VAL . 11.2 p-10 -119.01 118.53 31.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.247 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 1.051 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 6.8 t -84.03 -106.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 108.339 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.406 ' H ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -151.6 -169.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.418 ' HB ' ' NE1' ' A' ' 50' ' ' TRP . 1.5 mt -51.17 137.92 8.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . 47.89 32.9 9.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.591 1.182 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.641 ' CZ ' ' HB3' ' A' ' 45' ' ' ARG . 5.4 m-85 -149.19 121.45 8.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 0.759 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 t -177.65 -140.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 110.003 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 99.64 41.86 2.83 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 39' ' ' GLY . 9.3 t70 87.92 -35.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 0.793 . . . . 0.0 109.342 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 42' ' ' CYS . 55.1 mtt85 -128.26 -85.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 1.051 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 45.0 t 176.86 35.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 108.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -97.74 -22.55 16.36 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.566 1.166 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 m -96.28 102.85 14.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.354 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.641 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -102.9 106.73 17.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.341 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.515 ' N ' ' O ' ' A' ' 36' ' ' GLY . 14.5 t70 -40.43 -91.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.517 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 4.4 mt -128.75 -48.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.07 . . . . 0.0 109.223 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.58 ' HG3' ' CZ2' ' A' ' 50' ' ' TRP . 23.6 ttt180 85.23 51.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.242 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -15.2 50.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 107.963 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.58 ' CZ2' ' HG3' ' A' ' 48' ' ' ARG . 10.2 p-90 -81.67 81.82 7.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 107.997 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -141.14 -55.52 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -119.03 145.1 46.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.598 1.187 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 110.38 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 24' ' ' GLU . 13.4 m120 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 t -113.85 136.82 52.45 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.482 ' O ' ' O ' ' A' ' 22' ' ' HIS . 71.7 t80 -143.72 126.37 8.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 102.18 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.595 1.84 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.2 157.03 26.99 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.418 1.074 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 177.9 97.61 0.14 Allowed Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.447 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -75.04 173.46 14.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.597 1.841 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -51.91 -27.24 12.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 t -66.8 -18.06 65.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.057 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.612 ' CZ ' ' CD2' ' A' ' 29' ' ' TYR . 74.5 m-85 -123.08 51.74 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.04 47.56 0.87 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 109.375 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.94 37.09 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CZ ' ' O ' ' A' ' 29' ' ' TYR . 6.6 t80 -99.48 -14.07 19.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -106.92 160.4 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 108.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.599 HD23 ' CB ' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -99.92 -161.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.381 1.051 . . . . 0.0 109.367 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -60.07 -13.75 13.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.225 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.462 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -144.63 74.41 0.31 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . -164.95 133.03 2.84 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.2 t -98.65 131.99 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.583 0.813 . . . . 0.0 109.234 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.5 OUTLIER -69.43 127.75 34.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 108.328 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.479 ' CG ' HG22 ' A' ' 30' ' ' THR . 13.1 ptm -143.32 168.04 20.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.642 ' CD2' ' O ' ' A' ' 28' ' ' SER . 6.7 t-80 -126.81 136.31 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.174 . . . . 0.0 109.543 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.804 ' N ' HD13 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -103.87 119.46 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 1' ' ' ASN . 1.2 mm-40 -79.79 -17.25 53.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 110.343 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.7 p -57.8 -24.44 57.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 mt -155.03 21.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 46.62 39.97 7.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.642 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 32.9 t -99.24 164.35 12.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.612 ' CD2' ' CZ ' ' A' ' 10' ' ' TYR . 14.1 m-85 -119.37 116.61 26.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.598 ' HA ' ' CE1' ' A' ' 13' ' ' TYR . 11.4 t -122.27 -165.17 1.24 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.541 1.151 . . . . 0.0 110.455 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.5 m -146.06 118.4 8.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 1.098 . . . . 0.0 108.348 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.481 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.6 OUTLIER -63.06 100.54 0.22 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 1.072 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -76.27 -159.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 108.349 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.459 HG23 ' HB2' ' A' ' 37' ' ' TYR . 6.0 m -141.15 -169.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.651 1.22 . . . . 0.0 109.288 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.629 HD12 ' CD1' ' A' ' 49' ' ' TRP . 1.3 mt -57.71 154.64 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.321 1.013 . . . . 0.0 109.263 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.474 ' HA2' ' CB ' ' A' ' 46' ' ' ASP . . . 36.98 29.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 45' ' ' ARG . 7.4 m-85 -151.68 118.81 5.89 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.479 0.752 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -160.54 -175.39 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.941 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 106.71 63.55 0.6 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.477 ' CG ' ' CE1' ' A' ' 13' ' ' TYR . 0.9 OUTLIER 67.89 -66.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.599 ' CB ' HD23 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -96.99 -71.77 0.67 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 1.072 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER 156.94 46.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.09 . . . . 0.0 108.313 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.434 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.4 pt20 -92.04 -19.97 21.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 95.8 m -95.2 113.01 24.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.43 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.573 ' HG2' ' CE1' ' A' ' 37' ' ' TYR . 3.4 mtm-85 -92.03 100.35 13.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.929 ' O ' HD22 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -73.43 -31.75 64.01 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.55 1.156 . . . . 0.0 109.389 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.929 HD22 ' O ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -161.08 -161.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 50' ' ' TRP . 17.4 ttp180 -144.57 51.83 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.623 1.202 . . . . 0.0 110.264 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.629 ' CD1' HD12 ' A' ' 35' ' ' ILE . 23.7 t-105 -64.24 80.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.578 1.174 . . . . 0.0 107.957 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.613 ' CG ' ' O ' ' A' ' 49' ' ' TRP . 2.3 m95 -164.66 -54.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.5 143.57 27.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 110.264 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tt -134.71 -54.83 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 22' ' ' HIS . 33.5 m -75.21 137.08 41.01 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.488 1.117 . . . . 0.0 110.045 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.529 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 67.9 t80 -142.5 138.45 16.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 107.88 2.59 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.54 1.811 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.7 160.66 31.24 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.0 96.88 0.17 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.586 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.02 -177.94 3.82 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.595 1.84 . . . . 0.0 111.038 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.7 t -60.92 -17.58 51.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.1 t -41.68 -54.85 3.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.624 ' CD2' ' CD1' ' A' ' 13' ' ' TYR . 16.7 m-85 -97.52 -56.78 2.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 60.87 79.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.04 35.03 5.69 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.624 ' CD1' ' CD2' ' A' ' 10' ' ' TYR . 3.6 t80 -48.06 -23.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 0.736 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -129.43 130.44 45.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 108.322 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.497 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -133.69 141.76 47.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.629 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER 32.94 63.39 0.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.406 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.498 ' HA2' ' CD2' ' A' ' 37' ' ' TYR . . . -167.87 -79.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.476 1.11 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.474 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . -140.4 -141.79 4.08 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.537 HG12 ' N ' ' A' ' 20' ' ' CYS . 24.1 t -128.36 170.92 17.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 0.767 . . . . 0.0 109.393 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.537 ' N ' HG12 ' A' ' 19' ' ' VAL . 35.9 t -89.45 148.27 23.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.411 1.07 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.607 ' HB2' HG23 ' A' ' 30' ' ' THR . 1.2 mtp -138.63 163.72 31.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.567 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 2.6 t-160 -122.64 136.12 54.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.652 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -87.35 -32.56 6.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.365 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' OE1' ' HB2' ' A' ' 3' ' ' TYR . 0.3 OUTLIER 68.08 -57.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.358 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 29.9 t -53.88 -18.48 3.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.486 1.117 . . . . 0.0 109.949 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HA ' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -132.09 15.52 4.67 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 43.65 29.26 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.163 . . . . 0.0 109.258 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.523 ' O ' HG13 ' A' ' 23' ' ' ILE . 21.5 t -107.15 151.62 25.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.618 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 84.8 m-85 -110.83 101.28 9.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.404 1.065 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.607 HG23 ' HB2' ' A' ' 21' ' ' MET . 12.9 t -76.98 -166.32 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -155.59 109.56 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 108.321 179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.474 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 35.8 p30 -83.72 82.31 8.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.399 1.062 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 0.1 OUTLIER -59.76 -157.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.431 1.082 . . . . 0.0 108.331 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.653 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.5 OUTLIER -149.14 -164.43 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 109.236 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.653 ' N ' HG13 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -69.05 137.14 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 109.288 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' ' CD1' ' A' ' 37' ' ' TYR . . . 70.03 22.83 77.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.629 ' CD1' ' O ' ' A' ' 16' ' ' ASN . 37.6 m-85 -166.42 123.27 1.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.543 0.79 . . . . 0.0 111.02 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.405 ' O ' ' OE1' ' A' ' 43' ' ' GLN . 49.4 m -170.3 -179.13 2.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.36 51.35 0.51 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 10.0 t70 71.03 -60.66 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 0.804 . . . . 0.0 109.228 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 28.1 mtp-105 -86.65 -84.09 0.18 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 1.235 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.2 m 153.95 94.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.368 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 44' ' ' THR . 1.4 pm0 -156.93 -39.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 0.0 110.268 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 2.4 m -78.32 126.16 30.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.36 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.478 ' HG2' ' CA ' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -77.4 102.32 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' CB ' HD22 ' A' ' 47' ' ' LEU . 1.3 m-20 -102.12 -167.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' ' 35' ' ' ILE . 2.5 mm? 56.54 -96.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.466 ' CG ' ' HG3' ' A' ' 51' ' ' GLU . 18.1 ttp-105 53.52 30.67 11.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -90.87 16.84 8.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 107.979 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -132.86 12.66 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' HG3' ' CG ' ' A' ' 48' ' ' ARG . 12.2 pt-20 -162.36 153.76 18.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.239 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.44 -52.89 3.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.603 1.189 . . . . 0.0 109.214 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.2 m120 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -79.29 129.73 34.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 4' ' ' PRO . 34.4 t80 -130.29 141.41 41.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 111.153 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 3' ' ' TYR . 18.4 Cg_endo -75.02 121.29 6.48 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.473 1.775 . . . . 0.0 111.034 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -167.4 146.57 10.82 Favored Glycine 0 CA--C 1.529 0.907 0 O-C-N 124.449 1.093 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.43 ' SG ' ' C ' ' A' ' 5' ' ' GLY . 1.9 m -157.23 78.76 3.67 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.572 ' HD2' ' CE1' ' A' ' 10' ' ' TYR . 18.5 Cg_endo -74.98 -177.76 3.69 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.5 p -78.0 0.67 23.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.051 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.9 m -52.45 -61.29 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.606 1.191 . . . . 0.0 110.006 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.572 ' CE1' ' HD2' ' A' ' 7' ' ' PRO . 11.9 p90 -116.94 -53.32 2.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.582 1.176 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.43 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 24.6 t70 49.09 70.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.234 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.12 41.94 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.13 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -91.03 16.08 10.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 0.807 . . . . 0.0 110.992 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -134.91 108.27 7.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.636 1.21 . . . . 0.0 108.251 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -91.53 159.64 15.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 74.48 -53.79 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 109.234 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' GLY . . . 178.92 -73.46 0.07 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.403 1.064 . . . . 0.0 111.057 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . 34.84 -154.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.634 HG12 ' CG ' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -143.32 165.98 14.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 53.8 t -95.91 137.01 35.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.598 1.186 . . . . 0.0 108.365 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.554 ' O ' HG22 ' A' ' 30' ' ' THR . 10.1 mmm -158.33 127.49 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.682 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 14.0 t-80 -97.46 153.83 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.598 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.947 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -114.58 167.49 7.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.5 mm-40 -120.44 -178.51 3.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.251 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 3.0 t 87.36 -31.88 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.67 15.55 1.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 53.15 29.61 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.637 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.6 OUTLIER -76.1 153.39 36.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.682 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 84.4 m-85 -114.34 150.99 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.947 ' HB ' HD11 ' A' ' 23' ' ' ILE . 10.1 t -141.16 -174.53 4.04 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -157.44 136.51 11.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.19 . . . . 0.0 108.265 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.634 ' CG ' HG12 ' A' ' 19' ' ' VAL . 9.0 m-20 -70.01 150.88 46.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 1.113 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 1.6 t -127.45 -152.7 0.53 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 0.0 108.268 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' O ' ' O ' ' A' ' 37' ' ' TYR . 26.0 m -147.94 179.91 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.619 ' HA ' ' CZ2' ' A' ' 50' ' ' TRP . 2.9 mt -61.24 124.57 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.369 1.043 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.623 ' O ' ' CG ' ' A' ' 37' ' ' TYR . . . 90.78 14.04 58.6 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.623 ' CG ' ' O ' ' A' ' 36' ' ' GLY . 67.8 m-85 -164.98 138.4 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 0.731 . . . . 0.0 111.004 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 44' ' ' THR . 20.9 m -167.51 173.32 8.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.951 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.39 -166.1 20.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -56.95 -17.19 8.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 0.802 . . . . 0.0 109.273 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 13' ' ' TYR . 18.7 mtt85 -144.11 -78.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.239 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 1.113 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER 169.87 66.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.267 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.419 ' CD ' ' C ' ' A' ' 43' ' ' GLN . 0.1 OUTLIER -120.89 -33.35 3.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.1 m -76.17 110.32 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 14.2 mtt180 -76.63 114.4 15.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -31.76 71.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 5.3 mt 41.04 72.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.558 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 1.4 mmt85 161.32 91.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.483 ' HA ' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -42.4 143.2 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.619 ' CZ2' ' HA ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -107.88 -39.19 5.62 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.554 1.159 . . . . 0.0 107.996 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.64 144.17 29.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -107.37 -54.26 2.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.62 1.2 . . . . 0.0 110.301 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -76.91 143.52 39.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.164 . . . . 0.0 110.034 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.4 t80 -136.66 133.36 18.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.424 1.077 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 108.02 2.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -164.09 155.36 26.7 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.2 m 178.03 107.13 0.14 Allowed Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 10' ' ' TYR . 18.2 Cg_endo -74.98 -175.47 2.38 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.423 1.749 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -52.25 -20.42 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 110.054 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.5 t -77.19 4.23 10.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.703 ' CE2' ' CB ' ' A' ' 29' ' ' TYR . 31.9 m-85 -143.62 83.86 1.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 111.06 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -70.09 55.63 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 14' ' ' CYS . . . 98.38 -32.28 7.13 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.648 ' CE1' ' CE2' ' A' ' 10' ' ' TYR . 1.2 t80 67.86 -43.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.604 0.826 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.525 ' H ' ' C ' ' A' ' 12' ' ' GLY . 34.1 m -103.6 119.65 39.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -101.52 139.87 36.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.498 ' C ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER 32.25 58.35 0.37 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 -179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . 169.92 105.99 0.19 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.495 ' HA3' ' O ' ' A' ' 32' ' ' ASN . . . 48.27 -156.07 1.22 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -131.04 -178.23 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.561 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -79.22 161.53 26.31 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.552 1.157 . . . . 0.0 108.327 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.942 ' O ' HG22 ' A' ' 30' ' ' THR . 0.2 OUTLIER -154.65 108.51 2.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 28' ' ' SER . 9.0 t-80 -74.51 150.2 39.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.577 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.782 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -113.59 163.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -115.98 -7.94 11.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -60.59 -29.09 68.98 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -159.7 25.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.374 1.046 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.26 26.44 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 30.0 t -86.7 163.62 17.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 109.957 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.703 ' CB ' ' CE2' ' A' ' 10' ' ' TYR . 60.7 m-85 -115.03 117.97 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.942 HG22 ' O ' ' A' ' 21' ' ' MET . 14.7 t -101.03 -179.6 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.381 1.05 . . . . 0.0 110.364 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -134.5 130.34 36.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 108.34 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.495 ' O ' ' HA3' ' A' ' 18' ' ' GLY . 1.4 p-10 -121.96 97.08 5.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 1.088 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 64.5 m -84.89 -118.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 108.334 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.407 HG23 ' HB2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -144.13 -169.59 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.456 ' C ' ' H ' ' A' ' 37' ' ' TYR . 2.1 pt -52.28 140.2 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . 53.21 10.08 1.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.614 1.196 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.68 ' CZ ' ' HG2' ' A' ' 45' ' ' ARG . 5.3 m-85 -125.59 119.25 27.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.982 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 t -167.04 -161.57 0.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.558 1.161 . . . . 0.0 110.042 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 109.02 169.3 20.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 39' ' ' GLY . 0.6 OUTLIER -37.66 -30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 0.802 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.532 ' CB ' ' O ' ' A' ' 13' ' ' TYR . 33.3 mtm-85 -132.3 -64.12 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.252 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 1.088 ' SG ' ' CB ' ' A' ' 33' ' ' CYS . 1.2 m 173.69 22.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 108.246 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 45' ' ' ARG . 20.9 tt0 -65.87 -30.1 70.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.361 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 5.4 m -66.21 62.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.68 ' HG2' ' CZ ' ' A' ' 37' ' ' TYR . 2.2 ttp-105 -72.45 133.86 45.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 110.238 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' GLY . 13.3 t0 -60.15 -145.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.409 1.068 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.435 HD12 ' OD1' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -131.1 39.97 3.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.319 1.012 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.08 53.35 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.564 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 1.6 t-105 -69.68 -9.78 55.67 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.0 -38.63 36.23 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.592 1.182 . . . . 0.0 108.017 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -95.34 141.11 29.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 110.274 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.68 -50.84 4.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.622 ' OXT' ' HG3' ' A' ' 53' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.256 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 24' ' ' GLU . 53.8 m-80 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.449 ' HB3' ' CE ' ' A' ' 21' ' ' MET . 5.8 m -114.3 126.87 55.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.951 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' HIS . 47.9 t80 -133.22 140.1 36.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.613 1.196 . . . . 0.0 110.945 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 3' ' ' TYR . 18.4 Cg_endo -74.93 118.02 5.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.525 1.802 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -175.7 150.92 11.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -172.4 100.41 0.36 Allowed Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.97 -179.28 4.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.423 ' HA ' ' OD2' ' A' ' 11' ' ' ASP . 96.0 p -86.18 13.09 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -68.11 -48.34 65.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.889 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -98.34 -58.49 1.96 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.424 1.078 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.423 ' OD2' ' HA ' ' A' ' 8' ' ' SER . 10.9 m-20 59.25 78.31 0.27 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 124.36 40.82 0.42 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 29' ' ' TYR . 2.2 t80 -87.63 20.18 3.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.37 0.688 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' O ' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -140.33 134.24 30.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 108.261 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 41' ' ' ARG . 2.7 mt -142.85 174.13 10.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.602 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 2.5 m-20 41.42 54.2 3.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 62.85 77.49 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.925 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 14' ' ' CYS . . . -138.87 132.7 5.85 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.833 HG12 ' CB ' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -89.75 169.86 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.494 0.761 . . . . 0.0 109.319 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.4 t -80.89 138.46 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.237 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.732 ' O ' HG22 ' A' ' 30' ' ' THR . 2.4 mmm -160.96 113.99 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.698 ' CD2' ' CD2' ' A' ' 29' ' ' TYR . 18.8 t-80 -92.35 132.78 36.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.623 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.717 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.0 OUTLIER -82.91 154.48 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 1' ' ' ASN . 11.2 mt-10 -121.49 -7.61 9.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.098 . . . . 0.0 110.384 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.546 ' O ' HD22 ' A' ' 26' ' ' LEU . 33.0 t -68.9 -38.63 79.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.634 1.209 . . . . 0.0 109.925 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.546 HD22 ' O ' ' A' ' 25' ' ' SER . 0.3 OUTLIER -130.31 12.74 5.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.7 27.54 16.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.626 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 7.5 t -95.7 170.35 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.075 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.698 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 89.1 m-85 -111.41 142.13 44.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 21' ' ' MET . 10.9 t -140.28 -162.78 1.4 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 19' ' ' VAL . 1.3 m -154.47 133.37 12.3 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.498 1.124 . . . . 0.0 108.399 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.833 ' CB ' HG12 ' A' ' 19' ' ' VAL . 15.8 t-20 -71.32 109.5 5.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 1.313 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 8.8 m -88.98 -153.67 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 37' ' ' TYR . 3.3 m -147.5 -177.99 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.677 HG22 ' CZ2' ' A' ' 50' ' ' TRP . 1.1 mt -45.86 158.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.39 1.056 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.519 ' CA ' ' HA ' ' A' ' 46' ' ' ASP . . . 37.73 33.42 0.14 Allowed Glycine 0 CA--C 1.528 0.872 0 O-C-N 124.428 1.08 . . . . 0.0 111.052 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.602 ' CE1' ' HB3' ' A' ' 16' ' ' ASN . 15.7 m-85 -161.71 103.42 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.385 0.697 . . . . 0.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 44' ' ' THR . 85.0 p -160.62 168.19 25.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.64 41.06 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 41' ' ' ARG . 18.1 t70 60.96 117.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.237 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.497 ' HG2' HD12 ' A' ' 15' ' ' LEU . 32.9 ttp-105 73.37 1.88 4.12 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 1.313 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.8 m 65.2 87.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 108.301 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.76 -46.95 2.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 38' ' ' SER . 2.3 m -65.46 98.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.4 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.538 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 3.2 ttt-85 -78.07 126.95 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.519 ' HA ' ' CA ' ' A' ' 36' ' ' GLY . 4.4 t0 40.93 -153.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 47' ' ' LEU . 6.7 mp 49.06 72.6 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.495 ' O ' ' O ' ' A' ' 49' ' ' TRP . 1.2 mmt-85 169.13 81.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.618 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 59.78 140.25 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.677 ' CZ2' HG22 ' A' ' 35' ' ' ILE . 25.8 m95 -172.56 -97.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.18 141.69 50.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.12 . . . . 0.0 110.383 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 tt -135.87 134.99 39.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 . . . . . 0 C--N 1.323 -0.557 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m -83.16 132.19 35.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 22' ' ' HIS . 61.6 t80 -131.44 132.93 23.85 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 115.06 4.18 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.536 1.808 . . . . 0.0 111.008 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.401 ' C ' ' SG ' ' A' ' 6' ' ' CYS . . . -177.33 156.87 21.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.401 ' SG ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 172.56 108.73 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.429 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 18.0 Cg_endo -75.02 175.72 10.87 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.44 1.758 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -50.57 -26.38 5.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.083 . . . . 0.0 109.944 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.3 t -66.48 -26.71 67.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.982 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.593 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 65.3 m-85 -117.19 47.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -99.21 46.6 0.97 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.436 ' O ' ' NH1' ' A' ' 41' ' ' ARG . . . 171.9 38.0 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CE2' ' O ' ' A' ' 40' ' ' ASP . 1.1 t80 -99.03 12.01 37.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 0.741 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.8 122.72 15.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 108.296 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -129.65 173.73 10.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.409 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . 87.4 m-20 44.82 65.48 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.403 1.064 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.19 76.59 0.17 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.454 1.096 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.473 ' CA ' ' HA ' ' A' ' 33' ' ' CYS . . . -136.27 145.96 17.91 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.544 HG12 ' CB ' ' A' ' 32' ' ' ASN . 0.4 OUTLIER -96.28 166.01 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.441 0.73 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.453 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 4.2 t -98.85 137.05 37.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.474 ' HB3' ' CG2' ' A' ' 30' ' ' THR . 2.4 tpt -155.56 131.88 10.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 1.08 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.628 ' CD2' ' O ' ' A' ' 28' ' ' SER . 16.2 t-80 -103.76 136.66 43.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.631 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.717 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -91.84 160.76 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -118.61 -9.06 10.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 m -55.67 -30.86 61.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 mt -157.2 24.08 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.94 25.25 14.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.628 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 7.4 t -84.32 162.68 19.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.593 ' CD1' ' CZ ' ' A' ' 10' ' ' TYR . 83.1 m-85 -112.24 139.12 48.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.717 ' HB ' HD11 ' A' ' 23' ' ' ILE . 10.0 t -129.11 -172.48 2.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.513 1.133 . . . . 0.0 110.362 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 1.2 m -161.16 134.33 6.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 108.348 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.544 ' CB ' HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -96.8 96.22 8.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 1.127 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . 2.5 t -60.3 -121.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 108.339 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.811 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -147.35 -155.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.811 ' N ' HG13 ' A' ' 34' ' ' VAL . 67.4 mt -49.01 148.43 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 45' ' ' ARG . . . 32.38 39.11 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.149 . . . . 0.0 111.08 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.573 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.0 m-85 -157.82 125.58 5.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.536 0.786 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 37' ' ' TYR . 4.8 m -169.63 -160.44 0.25 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.6 -165.06 12.6 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.566 1.166 . . . . 0.0 111.017 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 13' ' ' TYR . 30.6 m-20 -63.04 -13.49 36.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 0.782 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.54 ' HA ' ' O ' ' A' ' 13' ' ' TYR . 56.8 mtp85 -142.06 -87.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 1.127 ' SG ' ' CB ' ' A' ' 33' ' ' CYS . 39.9 t 176.88 33.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 0.0 108.258 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -106.0 2.05 27.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.8 m -112.76 127.06 56.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.604 1.19 . . . . 0.0 110.372 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 21.3 mtp180 -87.41 105.31 17.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.55 -71.64 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' N ' ' HA2' ' A' ' 36' ' ' GLY . 0.1 OUTLIER -84.27 -162.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.4 ttm105 -179.8 59.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 110.279 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -55.98 -39.59 72.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 107.979 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.94 109.91 14.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.493 ' H ' HD13 ' A' ' 52' ' ' LEU . 2.4 mm-40 -137.74 9.99 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.594 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -129.27 168.91 15.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.373 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.674 ' OXT' ' HG3' ' A' ' 53' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' ILE . 12.9 m120 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -120.34 122.27 40.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.032 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 22' ' ' HIS . 45.7 t80 -129.04 137.82 31.84 Favored Pre-proline 0 C--N 1.323 -0.565 0 O-C-N 124.569 1.168 . . . . 0.0 111.032 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.3 Cg_endo -75.0 107.1 2.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.414 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -167.21 154.22 24.36 Favored Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.41 1.069 . . . . 0.0 111.063 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.414 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -178.44 100.82 0.21 Allowed Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.57 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 18.1 Cg_endo -75.1 -176.33 2.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 32.9 t -87.3 14.29 8.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.071 . . . . 0.0 109.939 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 m -74.99 -41.84 58.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.465 1.103 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 29' ' ' TYR . 92.4 m-85 -84.38 -67.82 0.77 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 49.7 75.6 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 125.97 37.43 0.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE2' ' O ' ' A' ' 29' ' ' TYR . 2.6 t80 -103.15 -6.26 22.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.761 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.595 ' C ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -132.02 111.09 11.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 1.054 . . . . 0.0 108.336 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD22 ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -124.56 173.53 8.42 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.456 1.098 . . . . 0.0 109.363 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.448 ' ND2' ' CD2' ' A' ' 37' ' ' TYR . 72.8 m-20 52.74 67.59 0.96 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 49.42 32.58 15.29 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 32' ' ' ASN . . . -84.69 160.33 35.62 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.568 HG12 ' N ' ' A' ' 20' ' ' CYS . 45.2 t -114.38 170.77 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.65 0.853 . . . . 0.0 109.202 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.568 ' N ' HG12 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -112.65 138.67 49.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.305 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' THR . 3.4 mmt -154.01 156.97 38.37 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.562 ' CE1' ' HA ' ' A' ' 27' ' ' ASP . 3.5 t-160 -111.01 157.75 19.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.699 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.699 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -110.17 -19.06 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 0.0 109.28 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' C ' ' H ' ' A' ' 26' ' ' LEU . 5.5 tt0 52.78 170.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 77.18 -25.03 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.094 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 24' ' ' GLU . 2.3 mt -143.2 15.5 1.87 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.562 ' HA ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER 49.05 22.3 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.515 ' O ' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -81.2 115.75 20.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.421 1.076 . . . . 0.0 109.976 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.57 ' CE2' ' HD3' ' A' ' 7' ' ' PRO . 64.6 m-85 -98.29 127.52 44.27 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.699 ' HB ' HD11 ' A' ' 23' ' ' ILE . 5.3 t -105.21 -170.68 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.54 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.496 ' N ' ' OG1' ' A' ' 30' ' ' THR . 1.0 OUTLIER -160.78 131.25 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.639 1.212 . . . . 0.0 108.308 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.504 ' O ' ' CA ' ' A' ' 18' ' ' GLY . 29.6 t-20 -78.88 156.87 28.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 1.285 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER -119.94 -150.15 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 108.311 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.638 HG22 ' H ' ' A' ' 35' ' ' ILE . 1.2 p -157.72 -162.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.363 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.88 HD13 ' CZ3' ' A' ' 49' ' ' TRP . 28.2 mt -72.82 128.7 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.644 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 89.94 7.76 67.92 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.391 1.057 . . . . 0.0 111.04 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 36' ' ' GLY . 45.0 m-85 -164.65 142.04 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.569 0.805 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.463 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 21.4 t -162.12 164.25 28.11 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 110.04 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 133.47 -179.13 17.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.1 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -71.11 -13.66 62.04 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.526 HH21 HD21 ' A' ' 15' ' ' LEU . 5.5 ttp180 -138.25 14.58 2.81 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 1.285 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 11.8 t 48.07 73.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.409 ' CD ' ' C ' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -125.49 -32.99 2.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.8 m -69.58 105.15 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.644 ' HG3' ' CE2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -74.56 129.11 37.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.233 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.857 ' O ' HD23 ' A' ' 47' ' ' LEU . 1.8 t70 -66.13 -144.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.857 HD23 ' O ' ' A' ' 46' ' ' ASP . 21.6 mt -150.56 -44.72 0.12 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.388 1.055 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -172.05 68.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.88 ' CZ3' HD13 ' A' ' 35' ' ' ILE . 0.4 OUTLIER -77.61 -9.1 58.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 107.98 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.595 ' CH2' ' HB ' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -89.91 10.07 25.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 107.992 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -132.48 -50.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.85 147.04 50.43 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.411 1.07 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -111.67 120.28 41.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.56 ' CD1' ' HD2' ' A' ' 4' ' ' PRO . 64.3 t80 -120.93 140.72 31.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 3' ' ' TYR . 18.1 Cg_endo -75.07 109.08 2.86 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 6' ' ' CYS . . . 178.18 157.86 19.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.543 ' HA ' ' CE1' ' A' ' 29' ' ' TYR . 7.4 p 168.72 119.11 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 17.9 Cg_endo -75.11 -175.88 2.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.528 1.804 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.0 t -86.34 13.6 7.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.908 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.8 t -71.81 -36.18 70.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.091 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.792 ' CG ' ' CD2' ' A' ' 13' ' ' TYR . 65.6 m-85 -99.14 -8.93 24.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 62.59 55.78 2.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.41 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 88.44 -31.92 4.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.792 ' CD2' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 58.76 13.44 2.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.593 0.819 . . . . 0.0 111.082 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 2.8 m -136.61 120.5 17.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.334 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.2 OUTLIER -119.53 176.45 5.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.171 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 68.9 m-80 65.32 -59.92 0.26 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.555 1.16 . . . . 0.0 109.389 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 15' ' ' LEU . . . 166.39 76.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.045 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.43 156.24 23.95 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.488 ' HB ' ' OD1' ' A' ' 32' ' ' ASN . 2.1 t -91.45 158.81 2.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.586 0.815 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.475 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -90.58 141.79 28.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.32 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.5 tpt -156.07 128.46 7.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 111.086 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.681 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 9.3 t-160 -94.6 148.8 21.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.646 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.898 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -111.93 166.13 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.259 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 25' ' ' SER . 24.6 mt-10 -117.14 -178.25 3.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.167 . . . . 0.0 110.219 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.8 t 88.44 -29.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.929 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.79 18.07 0.69 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.161 . . . . 0.0 109.387 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' C ' ' HE2' ' A' ' 22' ' ' HIS . 5.8 m-20 48.86 38.32 11.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.604 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.2 t -84.03 154.94 22.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.995 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.681 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 72.8 m-85 -114.94 144.07 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.898 ' HB ' HD11 ' A' ' 23' ' ' ILE . 8.1 t -136.18 -176.48 4.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 1.233 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.8 OUTLIER -155.72 123.58 5.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 108.386 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.488 ' OD1' ' HB ' ' A' ' 19' ' ' VAL . 14.6 p-10 -77.9 109.11 11.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.212 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 9.4 m -78.41 -145.37 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.533 1.145 . . . . 0.0 108.237 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' N ' ' A' ' 35' ' ' ILE . 1.8 m -144.65 -178.86 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.838 HG22 ' CE2' ' A' ' 50' ' ' TRP . 1.7 mm -69.65 102.19 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.577 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 116.82 8.38 12.08 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.399 1.062 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.674 ' CE2' ' HG3' ' A' ' 45' ' ' ARG . 31.2 m-85 -148.92 130.41 14.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 0.725 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.518 ' OG ' ' CD2' ' A' ' 47' ' ' LEU . 7.4 p -161.56 164.26 29.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.97 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 135.98 48.46 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.146 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' GLY . 4.9 p-10 37.96 38.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 0.734 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.472 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 10.1 ttp180 177.08 -27.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.64 1.212 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' SG ' ' C ' ' A' ' 41' ' ' ARG . 1.6 m 81.76 79.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.309 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.465 ' OE1' ' NE ' ' A' ' 41' ' ' ARG . 4.9 mt-30 -134.49 -37.7 0.85 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 m -79.39 118.15 21.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.674 ' HG3' ' CE2' ' A' ' 37' ' ' TYR . 2.5 ttm180 -97.21 67.63 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.346 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.688 ' O ' ' C ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -130.38 -68.51 0.69 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.688 ' C ' ' O ' ' A' ' 46' ' ' ASP . 4.1 mm? -10.85 116.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.551 ' HA ' ' CZ2' ' A' ' 50' ' ' TRP . 23.9 ttp180 -160.57 62.38 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.164 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.571 ' CZ3' HD12 ' A' ' 47' ' ' LEU . 3.5 p90 -74.61 -2.56 26.56 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.569 1.168 . . . . 0.0 107.946 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.838 ' CE2' HG22 ' A' ' 35' ' ' ILE . 8.1 p90 -94.89 94.18 7.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' OE1' ' NE ' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -167.87 -50.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.427 1.079 . . . . 0.0 110.326 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.02 -55.25 2.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 80.6 mtm-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.283 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.746 HD21 ' CD ' ' A' ' 24' ' ' GLU . 5.2 p-10 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -71.66 122.52 20.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.0 t80 -125.71 135.16 26.62 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.368 1.043 . . . . 0.0 110.978 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.97 4.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -170.04 152.57 19.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -174.8 94.74 0.29 Allowed Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 18.0 Cg_endo -74.96 -178.29 4.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -53.78 -24.41 15.19 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.26 4.18 18.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.405 1.065 . . . . 0.0 110.022 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.709 ' CZ ' ' CD1' ' A' ' 29' ' ' TYR . 60.8 m-85 -143.33 77.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.5 1.125 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -70.29 56.17 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.382 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.424 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 99.84 -31.76 8.03 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.528 1.143 . . . . 0.0 111.083 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD1' ' CD2' ' A' ' 10' ' ' TYR . 5.4 t80 47.15 20.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.494 0.761 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 31' ' ' CYS . 36.0 m -132.01 145.9 51.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 108.289 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.932 HD13 ' C ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -145.55 162.95 36.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.58 1.175 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.624 ' OD1' HD23 ' A' ' 15' ' ' LEU . 2.9 m120 76.78 -53.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.37 80.78 0.04 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.431 1.082 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.78 149.53 21.16 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.7 t -90.94 151.66 3.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 12' ' ' GLY . 1.8 t -80.18 135.86 36.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 108.412 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.533 ' O ' HG22 ' A' ' 30' ' ' THR . 1.1 tpt -155.42 123.45 5.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 28' ' ' SER . 11.2 t-80 -89.66 154.08 20.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.529 1.143 . . . . 0.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.832 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -116.85 168.87 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.746 ' CD ' HD21 ' A' ' 1' ' ' ASN . 8.5 mt-10 -122.08 -178.32 3.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.9 t 88.7 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.46 17.48 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.201 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 50.84 38.25 19.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.621 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.6 t -85.43 156.45 20.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.936 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.709 ' CD1' ' CZ ' ' A' ' 10' ' ' TYR . 63.5 m-85 -117.09 146.84 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.832 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.9 t -139.65 -168.95 2.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.436 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.2 m -154.53 134.13 12.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 0.0 108.228 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' VAL . 5.0 m-20 -70.08 105.69 2.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.138 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 3.4 m -90.98 -162.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 108.235 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.443 HG22 ' HB2' ' A' ' 37' ' ' TYR . 3.9 m -147.77 -175.04 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.712 HD13 ' CH2' ' A' ' 49' ' ' TRP . 0.3 OUTLIER -42.81 132.98 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.531 ' CA ' ' HA ' ' A' ' 46' ' ' ASP . . . 66.55 -35.12 0.17 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.609 1.193 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.627 ' H ' ' C ' ' A' ' 35' ' ' ILE . 38.8 m-85 -77.89 117.74 19.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.411 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 60.4 p -152.61 -160.13 1.1 Allowed 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 42' ' ' CYS . . . 74.5 132.99 0.27 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 7.7 p-10 -33.56 117.83 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.618 0.834 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.688 ' O ' HD22 ' A' ' 15' ' ' LEU . 9.7 mtp85 85.85 16.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.578 ' N ' ' O ' ' A' ' 39' ' ' GLY . 3.6 m 41.18 60.08 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 108.367 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.01 -33.11 10.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 97.1 m -69.49 89.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.583 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 5.5 ttm105 -64.23 146.6 54.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.618 ' OD1' ' CD2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -36.13 -62.82 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.623 ' O ' ' CB ' ' A' ' 48' ' ' ARG . 0.3 OUTLIER 76.23 25.61 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.623 ' CB ' ' O ' ' A' ' 47' ' ' LEU . 47.9 ttt180 94.04 50.92 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.734 ' O ' ' CD2' ' A' ' 49' ' ' TRP . 0.0 OUTLIER -81.43 1.79 31.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 108.027 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.657 ' CH2' HG21 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.41 87.15 2.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.54 1.15 . . . . 0.0 108.047 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.11 -55.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 0.0 110.243 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -114.32 -56.02 2.43 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.0 ttp85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 110.251 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.466 ' C ' ' CD1' ' A' ' 3' ' ' TYR . 18.3 m -155.03 158.18 38.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.512 1.133 . . . . 0.0 110.007 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.601 ' CZ ' ' OE2' ' A' ' 24' ' ' GLU . 30.5 m-85 -143.33 140.47 17.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 83.68 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.407 1.741 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.405 ' O ' ' SG ' ' A' ' 20' ' ' CYS . . . -142.43 163.17 27.21 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.05 111.02 0.11 Allowed Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.606 ' O ' ' CB ' ' A' ' 8' ' ' SER . 18.5 Cg_endo -75.04 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.453 1.765 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.606 ' CB ' ' O ' ' A' ' 7' ' ' PRO . 3.6 p 95.05 -6.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.964 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.5 t -76.65 -0.73 24.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' OH ' ' CD1' ' A' ' 29' ' ' TYR . 47.3 m-85 -85.38 -89.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER 157.33 89.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.441 ' C ' ' N ' ' A' ' 14' ' ' CYS . . . 39.42 52.51 2.91 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.423 1.077 . . . . 0.0 111.039 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CE1' ' OD2' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -43.87 -21.93 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 0.715 . . . . 0.0 111.012 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -130.02 109.83 11.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.579 1.175 . . . . 0.0 108.312 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -125.44 165.33 18.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.235 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER 82.11 -54.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 161.52 78.56 0.03 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.494 1.121 . . . . 0.0 111.054 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 32' ' ' ASN . . . -151.25 149.24 20.99 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.587 HG12 ' HB2' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -85.59 168.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.564 0.803 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 10.6 t -100.4 127.2 46.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 108.288 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.85 ' O ' HG22 ' A' ' 30' ' ' THR . 4.0 mmt -138.28 117.19 12.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.838 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 10.1 t-160 -85.79 137.6 32.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.475 1.109 . . . . 0.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.794 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -97.11 157.38 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.366 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.601 ' OE2' ' CZ ' ' A' ' 3' ' ' TYR . 2.0 mt-10 -119.01 -5.67 10.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.387 1.054 . . . . 0.0 110.282 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.4 t -57.58 -27.19 62.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mt -161.86 26.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.69 25.28 14.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.572 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.5 t -87.06 165.73 15.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.023 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.838 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 5.9 m-85 -118.32 147.95 42.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 21' ' ' MET . 15.3 t -138.22 -175.0 3.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.5 m -153.95 127.85 8.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 108.266 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.587 ' HB2' HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -77.17 94.45 4.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.383 1.052 . . . . 0.0 109.332 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 1.154 ' SG ' ' CB ' ' A' ' 42' ' ' CYS . 2.3 t -61.13 -147.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.682 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.6 OUTLIER -151.0 -162.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.213 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.682 ' N ' HG13 ' A' ' 34' ' ' VAL . 1.1 mm -77.09 128.2 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.461 1.1 . . . . 0.0 109.222 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.616 ' C ' ' CD1' ' A' ' 37' ' ' TYR . . . 90.68 3.7 70.9 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.562 1.164 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 36' ' ' GLY . 64.5 m-85 -157.29 143.89 18.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 111.033 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.461 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 5.0 m -160.19 -178.05 6.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.951 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 41' ' ' ARG . . . 108.48 177.31 21.89 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.611 ' OD2' ' CE1' ' A' ' 13' ' ' TYR . 27.2 t70 -45.16 -25.89 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.542 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 4.0 mtt180 -128.4 -82.52 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 1.154 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER 172.15 26.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 108.304 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.448 ' HG2' ' N ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -76.03 -27.54 57.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 110.326 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 43' ' ' GLN . 6.3 m -75.18 91.78 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 0.0 110.427 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.614 ' CG ' ' CE2' ' A' ' 37' ' ' TYR . 2.2 mtm-85 -77.86 121.89 24.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.584 ' C ' HD22 ' A' ' 47' ' ' LEU . 1.4 t70 -64.19 -145.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.584 HD22 ' C ' ' A' ' 46' ' ' ASP . 4.1 mm? -121.82 -51.06 2.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 174.16 74.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.408 1.067 . . . . 0.0 110.3 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.483 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 44.2 t-105 -88.44 47.22 1.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 108.057 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.452 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 1.0 OUTLIER -126.14 20.13 7.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.562 1.164 . . . . 0.0 107.956 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.27 145.29 16.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.221 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.62 153.4 48.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 110.32 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -74.69 130.58 39.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.439 1.087 . . . . 0.0 109.897 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 22' ' ' HIS . 63.4 t80 -125.38 132.52 24.33 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.2 Cg_endo -74.98 108.42 2.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.574 1.828 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.24 150.64 22.71 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 10' ' ' TYR . 1.7 t -177.07 82.99 0.25 Allowed Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.489 ' HD2' ' CD1' ' A' ' 10' ' ' TYR . 18.4 Cg_endo -75.02 176.51 9.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.401 1.737 . . . . 0.0 111.058 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.0 t -56.14 -21.32 21.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.2 t -81.87 6.57 15.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.97 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.727 ' CZ ' ' CG ' ' A' ' 29' ' ' TYR . 24.1 m-85 -138.57 68.53 1.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -113.77 55.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.376 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.51 42.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.479 ' C ' ' CG ' ' A' ' 41' ' ' ARG . 7.3 t80 -102.66 12.1 36.8 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.517 0.775 . . . . 0.0 110.864 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 19' ' ' VAL . 1.6 m -133.25 121.69 22.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.425 1.078 . . . . 0.0 108.305 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.63 HD11 ' HD2' ' A' ' 41' ' ' ARG . 13.5 mt -111.76 -175.94 2.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.656 HD22 ' HB3' ' A' ' 42' ' ' CYS . 79.2 m-20 48.16 23.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.424 ' N ' ' C ' ' A' ' 15' ' ' LEU . . . 68.21 70.22 1.2 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.4 163.73 14.77 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 20' ' ' CYS . 4.1 t -88.23 168.35 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.397 0.704 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.438 ' H ' HG12 ' A' ' 19' ' ' VAL . 2.0 t -96.4 136.49 36.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.427 ' HB3' ' CG2' ' A' ' 30' ' ' THR . 0.0 OUTLIER -154.08 135.9 14.51 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.538 1.148 . . . . 0.0 111.008 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.688 ' CD2' ' CD1' ' A' ' 29' ' ' TYR . 8.7 t-160 -102.74 148.44 25.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.621 1.201 . . . . 0.0 109.547 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.631 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.3 OUTLIER -109.37 155.47 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.532 1.145 . . . . 0.0 109.371 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -116.01 -18.39 10.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.412 1.07 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.5 t -54.59 -20.26 7.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.178 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.443 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 1.3 mt -164.04 31.98 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 26' ' ' LEU . 3.1 p-10 46.1 28.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.607 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 3.6 t -89.21 169.02 11.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.727 ' CG ' ' CZ ' ' A' ' 10' ' ' TYR . 11.8 m-85 -116.31 144.06 44.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 111.069 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.631 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.7 t -133.73 -170.15 2.44 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.461 1.1 . . . . 0.0 110.466 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -157.77 132.96 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 108.291 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -72.01 90.7 1.18 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 42' ' ' CYS . 4.7 m -75.12 -135.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 108.299 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.1 -176.45 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.438 ' H ' HG23 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -54.14 151.8 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.288 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' ASP . . . 47.87 22.51 2.03 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.624 1.203 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.693 ' CZ ' ' HG3' ' A' ' 45' ' ' ARG . 10.3 m-85 -147.36 114.05 6.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 0.717 . . . . 0.0 110.987 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 p -164.78 -154.23 0.22 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.581 1.176 . . . . 0.0 109.958 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.52 -73.62 0.42 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 41' ' ' ARG . 22.0 t70 -177.74 108.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 0.781 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.63 ' HD2' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER 78.43 13.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.174 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 3.5 m 68.32 69.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 108.305 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.611 HE21 ' C ' ' A' ' 43' ' ' GLN . 1.2 tp60 -119.58 -44.56 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 110.326 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.3 m -65.72 72.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 110.395 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.693 ' HG3' ' CZ ' ' A' ' 37' ' ' TYR . 41.9 ttp-105 -74.32 99.45 3.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' GLY . 1.9 m-20 -71.2 -143.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -92.61 -29.23 16.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.363 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.612 ' CG ' ' CZ2' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 75.78 68.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.268 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.493 ' O ' ' CD1' ' A' ' 49' ' ' TRP . 1.3 p90 -41.53 137.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.581 1.176 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.612 ' CZ2' ' CG ' ' A' ' 48' ' ' ARG . 10.6 m0 -148.92 -173.89 4.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.61 149.39 47.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -142.53 158.18 43.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.517 ' N ' HD22 ' A' ' 52' ' ' LEU . 3.2 tmm_? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 110.402 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -86.46 121.49 29.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' HIS . 61.8 t80 -126.3 135.49 27.25 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 122.18 7.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.462 1.769 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.532 ' O ' ' CB ' ' A' ' 6' ' ' CYS . . . 165.57 157.84 10.23 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.497 1.123 . . . . 0.0 110.922 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.548 ' HA ' ' CE1' ' A' ' 29' ' ' TYR . 1.8 p 157.43 89.33 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.504 ' C ' ' N ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.94 172.58 16.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 111.066 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 10' ' ' TYR . 8.5 t 47.39 15.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.123 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.504 ' N ' ' C ' ' A' ' 7' ' ' PRO . 0.6 OUTLIER 46.86 22.87 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.949 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 29' ' ' TYR . 1.7 m-85 31.39 38.36 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.554 1.159 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' SER . 22.4 t70 61.98 74.29 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.587 1.18 . . . . 0.0 109.345 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.44 40.03 1.86 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.942 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CD1' ' HB3' ' A' ' 10' ' ' TYR . 8.4 t80 -44.36 -24.54 0.18 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.496 0.762 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -124.49 143.18 50.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 108.297 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.46 HD12 ' HB2' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -162.33 173.25 14.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.563 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 80.2 m-20 52.53 66.4 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 0.0 109.24 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 55.45 34.36 59.7 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.544 1.153 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 32' ' ' ASN . . . -102.22 122.83 7.67 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 15.6 t -82.81 161.15 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.6 0.824 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HA ' ' SG ' ' A' ' 14' ' ' CYS . 1.7 t -98.65 133.99 42.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.604 ' O ' HG22 ' A' ' 30' ' ' THR . 73.3 mmm -154.26 117.78 4.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.622 ' CD2' ' O ' ' A' ' 28' ' ' SER . 16.3 t-80 -88.66 131.4 35.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.455 1.097 . . . . 0.0 109.626 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -80.55 159.2 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.361 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 1' ' ' ASN . 39.7 mt-10 -119.26 -35.95 3.48 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.575 1.172 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.505 ' O ' HD22 ' A' ' 26' ' ' LEU . 70.1 m -55.94 -36.92 68.3 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.557 1.161 . . . . 0.0 109.871 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.505 HD22 ' O ' ' A' ' 25' ' ' SER . 0.2 OUTLIER -120.73 15.45 11.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 44.18 24.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.356 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.622 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -97.45 174.04 6.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.019 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 10' ' ' TYR . 41.5 m-85 -111.67 142.14 44.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.661 HG23 ' N ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -131.3 -171.65 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.441 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.661 ' N ' HG23 ' A' ' 30' ' ' THR . 1.5 m -162.56 118.89 1.93 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 108.245 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.458 ' O ' ' HA2' ' A' ' 18' ' ' GLY . 52.0 t30 -74.51 93.46 2.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.61 1.194 . . . . 0.0 109.351 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' A' ' 42' ' ' CYS . 7.7 m -67.01 -147.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 108.288 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.822 HG13 ' N ' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -151.28 -162.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.822 ' N ' HG13 ' A' ' 34' ' ' VAL . 1.3 mm -57.76 154.3 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.484 ' HA2' ' CB ' ' A' ' 46' ' ' ASP . . . 37.66 29.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 16' ' ' ASN . 6.4 m-85 -151.47 116.56 5.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 0.76 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.1 p -161.27 -168.79 2.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 40' ' ' ASP . . . 103.84 44.75 1.6 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.385 1.053 . . . . 0.0 110.905 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 39' ' ' GLY . 22.7 m-20 38.09 48.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' C ' ' SG ' ' A' ' 42' ' ' CYS . 16.6 ttm105 174.6 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 33' ' ' CYS . 1.8 m 83.7 20.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 108.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 43' ' ' GLN . 0.0 OUTLIER -83.88 -22.14 31.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.596 1.185 . . . . 0.0 110.239 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.438 ' N ' ' NE2' ' A' ' 43' ' ' GLN . 2.9 m -92.82 126.34 37.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 27.9 mtm180 -95.21 101.7 13.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' CB ' ' HA2' ' A' ' 36' ' ' GLY . 0.2 OUTLIER -64.26 -38.24 90.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' A' ' 50' ' ' TRP . 0.1 OUTLIER 38.28 81.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -164.49 31.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.581 ' CB ' ' CG2' ' A' ' 35' ' ' ILE . 9.0 t90 -129.76 8.89 5.36 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.482 1.114 . . . . 0.0 108.105 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.575 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -139.76 -50.31 0.49 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 1.126 . . . . 0.0 108.075 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.87 142.11 28.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.32 64.68 1.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.207 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.394 1.059 . . . . 0.0 110.383 179.898 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.491 ' OD1' ' CB ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -75.19 128.96 36.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 22' ' ' HIS . 68.5 t80 -126.55 139.3 34.39 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.371 1.044 . . . . 0.0 110.966 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 3' ' ' TYR . 18.0 Cg_endo -75.11 113.96 3.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.428 1.751 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 6' ' ' CYS . . . -170.63 151.93 17.43 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 5' ' ' GLY . 1.3 m -174.78 95.94 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.0 -176.82 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.491 1.785 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -86.62 11.15 13.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.403 1.065 . . . . 0.0 110.082 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 t -67.84 -50.3 57.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.949 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.593 ' OH ' ' CD2' ' A' ' 29' ' ' TYR . 8.6 m-85 -88.59 -62.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.3 t70 53.67 72.66 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.33 40.37 0.15 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.61 ' CE2' ' OD2' ' A' ' 40' ' ' ASP . 2.0 t80 -100.46 2.26 41.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -138.66 114.0 9.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 108.322 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.582 HD12 ' CB ' ' A' ' 41' ' ' ARG . 0.6 OUTLIER -110.68 -179.17 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.76 HD22 ' HB3' ' A' ' 42' ' ' CYS . 76.8 m-20 43.96 61.74 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 46.34 41.53 12.03 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.8 142.2 17.6 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.591 HG12 ' HB2' ' A' ' 32' ' ' ASN . 0.5 OUTLIER -80.2 170.05 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.41 0.712 . . . . 0.0 109.208 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.537 ' N ' HG13 ' A' ' 19' ' ' VAL . 0.5 OUTLIER -113.67 138.51 50.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 108.319 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.48 ' O ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -154.87 132.29 11.18 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.571 1.17 . . . . 0.0 110.971 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 28' ' ' SER . 10.8 t-160 -95.52 152.1 18.72 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 109.659 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.942 HD11 ' HB ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -114.94 169.03 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.403 1.065 . . . . 0.0 109.352 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.534 ' O ' ' CB ' ' A' ' 25' ' ' SER . 1.4 mm-40 -122.55 -177.46 3.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.595 1.184 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 24' ' ' GLU . 2.7 t 88.28 -29.59 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.152 . . . . 0.0 110.1 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.3 17.99 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 50.86 38.4 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.405 1.066 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.605 ' O ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t -85.51 154.99 21.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.19 . . . . 0.0 109.959 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.593 ' CD2' ' OH ' ' A' ' 10' ' ' TYR . 19.4 m-85 -116.9 149.88 39.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.942 ' HB ' HD11 ' A' ' 23' ' ' ILE . 9.3 t -139.6 -173.03 3.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 20' ' ' CYS . 1.7 m -158.54 143.83 16.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 108.198 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.591 ' HB2' HG12 ' A' ' 19' ' ' VAL . 88.9 m-20 -94.57 148.96 21.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.103 . . . . 0.0 109.373 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 38' ' ' SER . 0.5 OUTLIER -119.38 -159.43 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 108.315 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' A' ' 37' ' ' TYR . 1.2 m -149.42 159.87 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -34.47 138.59 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.622 ' CA ' ' HA ' ' A' ' 46' ' ' ASP . . . 86.45 -33.77 3.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.618 1.199 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.638 ' HA ' ' O ' ' A' ' 44' ' ' THR . 57.5 m-85 -122.95 142.06 51.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 0.771 . . . . 0.0 111.049 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.551 ' HG ' ' HH2' ' A' ' 50' ' ' TRP . 59.8 p -158.96 -178.54 7.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.933 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ARG . . . 114.38 159.11 12.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.61 ' OD2' ' CE2' ' A' ' 13' ' ' TYR . 35.2 t70 -36.35 -32.65 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.582 ' CB ' HD12 ' A' ' 15' ' ' LEU . 25.7 mtm-85 -122.67 -48.74 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.76 ' HB3' HD22 ' A' ' 16' ' ' ASN . 1.2 m 153.43 38.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.5 1.125 . . . . 0.0 108.333 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.53 ' CG ' ' N ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -53.2 -55.32 25.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.638 ' O ' ' HA ' ' A' ' 37' ' ' TYR . 1.2 m -56.63 139.3 50.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.58 ' C ' ' O ' ' A' ' 36' ' ' GLY . 39.2 mtt180 -120.56 147.38 45.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.622 ' HA ' ' CA ' ' A' ' 36' ' ' GLY . 0.4 OUTLIER -32.99 -34.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.202 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.559 ' N ' ' O ' ' A' ' 45' ' ' ARG . 4.4 mm? -65.96 60.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 46' ' ' ASP . 10.8 mtt-85 164.75 82.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.167 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.577 ' C ' ' CD1' ' A' ' 50' ' ' TRP . 2.5 t90 -55.21 -168.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.704 ' N ' ' CD1' ' A' ' 50' ' ' TRP . 0.0 OUTLIER -158.49 -67.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' O ' ' CZ2' ' A' ' 49' ' ' TRP . 0.4 OUTLIER -155.06 -97.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.925 HD22 ' N ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -154.75 167.56 29.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.925 ' N ' HD22 ' A' ' 52' ' ' LEU . 3.2 tpt85 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 stop_ save_